6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

C29H23N7OS2 — CID 58101536

IUPAC6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(CCNc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)cs1
InChIInChI=1S/C29H23N7OS2/c1-18-32-20(17-38-18)13-15-30-25-16-24(33-26(36-25)19-8-3-2-4-9-19)27(37)34-22-11-6-5-10-21(22)28-35-23-12-7-14-31-29(23)39-28/h2-12,14,16-17H,13,15H2,1H3,(H,34,37)(H,30,33,36)
InChIKeyQWEAIKGURCQBNX-UHFFFAOYSA-N
MW549.69 g/mol
LogP6.49
Rot. Bonds8

About 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 58101536) has the molecular formula C29H23N7OS2 and a molecular weight of 549.69 g/mol. Its IUPAC name is 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID58101536
Molecular FormulaC29H23N7OS2
Molecular Weight549.69 g/mol
Exact Mass549.14
IUPAC Name6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(CCNc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)cs1
InChIInChI=1S/C29H23N7OS2/c1-18-32-20(17-38-18)13-15-30-25-16-24(33-26(36-25)19-8-3-2-4-9-19)27(37)34-22-11-6-5-10-21(22)28-35-23-12-7-14-31-29(23)39-28/h2-12,14,16-17H,13,15H2,1H3,(H,34,37)(H,30,33,36)
InChIKeyQWEAIKGURCQBNX-UHFFFAOYSA-N
XLogP6.49
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.69
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-(2-aminoethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101617
6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 143803020
6-(benzylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101482
6-[[(2S)-2,3-dihydroxypropyl]amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624296
6-(1,3-dihydroxypropan-2-ylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 66867745
6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42623129
2-phenyl-6-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624112
6-(2-aminoethoxy)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101513
2-phenyl-6-[[(3R)-piperidin-3-yl]amino]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624295
6-chloro-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;6-(3-hydroxyprop-1-ynyl)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 160544292
4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58101547
6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101602

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 58101536) is 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is Cc1nc(CCNc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)cs1.
What is the InChIKey of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is QWEAIKGURCQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7OS2/c1-18-32-20(17-38-18)13-15-30-25-16-24(33-26(36-25)19-8-3-2-4-9-19)27(37)34-22-11-6-5-10-21(22)28-35-23-12-7-14-31-29(23)39-28/h2-12,14,16-17H,13,15H2,1H3,(H,34,37)(H,30,33,36).
What are the key properties of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 549.69 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 58101536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).