N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C18H12Cl2N4O2S2 — CID 36667289

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H12Cl2N4O2S2/c1-8-13-16(21-7-24(2)17(13)26)28-14(8)15(25)23-18-22-12(6-27-18)10-4-3-9(19)5-11(10)20/h3-7H,1-2H3,(H,22,23,25)
InChIKeyQZPLPJNDVPHOFR-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.99
Rot. Bonds3

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36667289) has the molecular formula C18H12Cl2N4O2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID36667289
Molecular FormulaC18H12Cl2N4O2S2
Molecular Weight451.36 g/mol
Exact Mass449.98
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H12Cl2N4O2S2/c1-8-13-16(21-7-24(2)17(13)26)28-14(8)15(25)23-18-22-12(6-27-18)10-4-3-9(19)5-11(10)20/h3-7H,1-2H3,(H,22,23,25)
InChIKeyQZPLPJNDVPHOFR-UHFFFAOYSA-N
XLogP4.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26705957
3,5-dimethyl-4-oxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 36537520
3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23743020
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
3-(4-chlorophenyl)-3-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 167835581
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26692384
N-[2-(4-chlorophenoxy)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 27163729
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55778860
3-chloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 5221339
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 36667289) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)sc2ncn(C)c(=O)c12.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QZPLPJNDVPHOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S2/c1-8-13-16(21-7-24(2)17(13)26)28-14(8)15(25)23-18-22-12(6-27-18)10-4-3-9(19)5-11(10)20/h3-7H,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 451.36 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36667289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).