2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C20H18N4O2S2 — CID 135887672

IUPAC2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C20H18N4O2S2/c1-12-17(28-16(21-12)10-13-6-4-3-5-7-13)20(26)24(2)11-15-22-14-8-9-27-18(14)19(25)23-15/h3-9H,10-11H2,1-2H3,(H,22,23,25)
InChIKeyNAMIQOQXQHCXRV-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.61
Rot. Bonds5

About 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 135887672) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID135887672
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C20H18N4O2S2/c1-12-17(28-16(21-12)10-13-6-4-3-5-7-13)20(26)24(2)11-15-22-14-8-9-27-18(14)19(25)23-15/h3-9H,10-11H2,1-2H3,(H,22,23,25)
InChIKeyNAMIQOQXQHCXRV-UHFFFAOYSA-N
XLogP3.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,3-diphenylpropanamide
CID 135955544
N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 137252357
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide
CID 137294321
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 135955535
N-methyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-phenylbutanamide
CID 135893882
N-methyl-6-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-phenylpyridazine-3-carboxamide
CID 137287046
methyl 5-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]thiophene-2-carboxylate
CID 137278323
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 137294464
4-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]naphthalene-1-carboxamide
CID 135926948
N,2-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 137294354
5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
CID 135996381

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 135887672) is 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NAMIQOQXQHCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-12-17(28-16(21-12)10-13-6-4-3-5-7-13)20(26)24(2)11-15-22-14-8-9-27-18(14)19(25)23-15/h3-9H,10-11H2,1-2H3,(H,22,23,25).
What are the key properties of 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135887672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).