4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H19ClN6O2S2 — CID 10279747

IUPAC4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNc2nc(-c3ccncc3)nc3sc(C(=O)Nc4nccs4)c(C)c23)cc1Cl
InChIInChI=1S/C24H19ClN6O2S2/c1-13-18-21(28-12-14-3-4-17(33-2)16(25)11-14)29-20(15-5-7-26-8-6-15)30-23(18)35-19(13)22(32)31-24-27-9-10-34-24/h3-11H,12H2,1-2H3,(H,27,31,32)(H,28,29,30)
InChIKeyKXBHYBNBVKGLPI-UHFFFAOYSA-N
MW523.04 g/mol
LogP6.04
Rot. Bonds7

About 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 10279747) has the molecular formula C24H19ClN6O2S2 and a molecular weight of 523.04 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID10279747
Molecular FormulaC24H19ClN6O2S2
Molecular Weight523.04 g/mol
Exact Mass522.07
IUPAC Name4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNc2nc(-c3ccncc3)nc3sc(C(=O)Nc4nccs4)c(C)c23)cc1Cl
InChIInChI=1S/C24H19ClN6O2S2/c1-13-18-21(28-12-14-3-4-17(33-2)16(25)11-14)29-20(15-5-7-26-8-6-15)30-23(18)35-19(13)22(32)31-24-27-9-10-34-24/h3-11H,12H2,1-2H3,(H,27,31,32)(H,28,29,30)
InChIKeyKXBHYBNBVKGLPI-UHFFFAOYSA-N
XLogP6.04
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.04
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

[3-[(3-chloro-4-methoxyphenyl)methylamino]-5-pyridin-4-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-morpholin-4-ylmethanone
CID 10231018
4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]benzoic acid
CID 12971879
2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]acetic acid
CID 22675023
7-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]heptanoic acid
CID 18378891
3-[(3-chloro-4-methoxyphenyl)methylamino]-N,N-dimethyl-5-pyridin-3-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide
CID 10118290
4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid
CID 23289612
4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitrothieno[2,3-d]pyrimidin-2-yl]benzoic acid
CID 23289718
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460299
N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 141056385
2-[(dimethylamino)methyl]-5-methyl-4-oxo-N-(1,3-thiazol-2-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 110502934
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55669716

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 10279747) is 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C(=O)Nc4nccs4)c(C)c23)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KXBHYBNBVKGLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2S2/c1-13-18-21(28-12-14-3-4-17(33-2)16(25)11-14)29-20(15-5-7-26-8-6-15)30-23(18)35-19(13)22(32)31-24-27-9-10-34-24/h3-11H,12H2,1-2H3,(H,27,31,32)(H,28,29,30).
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 523.04 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-methyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 10279747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).