2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H9Cl2N5OS2 — CID 59519278

IUPAC2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)Nc3nccs3)sc2n1
InChIInChI=1S/C16H9Cl2N5OS2/c17-7-1-2-8(10(18)5-7)12-9-6-11(26-14(9)23-15(19)21-12)13(24)22-16-20-3-4-25-16/h1-6H,(H2,19,21,23)(H,20,22,24)
InChIKeySRNLKHAVISCHOK-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.96
Rot. Bonds3

About 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519278) has the molecular formula C16H9Cl2N5OS2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519278
Molecular FormulaC16H9Cl2N5OS2
Molecular Weight422.32 g/mol
Exact Mass420.96
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)Nc3nccs3)sc2n1
InChIInChI=1S/C16H9Cl2N5OS2/c17-7-1-2-8(10(18)5-7)12-9-6-11(26-14(9)23-15(19)21-12)13(24)22-16-20-3-4-25-16/h1-6H,(H2,19,21,23)(H,20,22,24)
InChIKeySRNLKHAVISCHOK-UHFFFAOYSA-N
XLogP4.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519337
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519348
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519323
2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 143009781
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
2-amino-4-(2,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519322
2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841486
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11641062
1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 40651727
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8762600
7-chloro-3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide
CID 10761767

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59519278) is 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)Nc3nccs3)sc2n1.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SRNLKHAVISCHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5OS2/c17-7-1-2-8(10(18)5-7)12-9-6-11(26-14(9)23-15(19)21-12)13(24)22-16-20-3-4-25-16/h1-6H,(H2,19,21,23)(H,20,22,24).
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).