2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

C24H29N7O2S — CID 90220274

IUPAC2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(C(N)=O)c(Nc4ccccn4)s3)C2)cn1
InChIInChI=1S/C24H29N7O2S/c1-24(2,3)17-10-9-15(13-27-17)21(33)28-16-7-6-12-31(14-16)23-30-19(20(25)32)22(34-23)29-18-8-4-5-11-26-18/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H2,25,32)(H,26,29)(H,28,33)/t16-/m1/s1
InChIKeyTUWNADKBBAYYNX-MRXNPFEDSA-N
MW479.61 g/mol
LogP3.47
Rot. Bonds6

About 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90220274) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90220274
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(C(N)=O)c(Nc4ccccn4)s3)C2)cn1
InChIInChI=1S/C24H29N7O2S/c1-24(2,3)17-10-9-15(13-27-17)21(33)28-16-7-6-12-31(14-16)23-30-19(20(25)32)22(34-23)29-18-8-4-5-11-26-18/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H2,25,32)(H,26,29)(H,28,33)/t16-/m1/s1
InChIKeyTUWNADKBBAYYNX-MRXNPFEDSA-N
XLogP3.47
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90220274) is 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(C(N)=O)c(Nc4ccccn4)s3)C2)cn1.
What is the InChIKey of 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is TUWNADKBBAYYNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-24(2,3)17-10-9-15(13-27-17)21(33)28-16-7-6-12-31(14-16)23-30-19(20(25)32)22(34-23)29-18-8-4-5-11-26-18/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H2,25,32)(H,26,29)(H,28,33)/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(6-tert-butylpyridine-3-carbonyl)amino]piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90220274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).