5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide

C13H13Cl2N3OS2 — CID 24676476

IUPAC5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1nc(SC)ncc1Cl
InChIInChI=1S/C13H13Cl2N3OS2/c1-3-18(7-8-4-5-10(15)21-8)12(19)11-9(14)6-16-13(17-11)20-2/h4-6H,3,7H2,1-2H3
InChIKeyHIRWNTSYYSRLBU-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.23
Rot. Bonds5

About 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 24676476) has the molecular formula C13H13Cl2N3OS2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID24676476
Molecular FormulaC13H13Cl2N3OS2
Molecular Weight362.31 g/mol
Exact Mass360.99
IUPAC Name5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1nc(SC)ncc1Cl
InChIInChI=1S/C13H13Cl2N3OS2/c1-3-18(7-8-4-5-10(15)21-8)12(19)11-9(14)6-16-13(17-11)20-2/h4-6H,3,7H2,1-2H3
InChIKeyHIRWNTSYYSRLBU-UHFFFAOYSA-N
XLogP4.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 39911714
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 43356366
5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462190
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
CID 112811138
5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 32590292
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
CID 79757915

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide (CID 24676476) is 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1nc(SC)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is HIRWNTSYYSRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS2/c1-3-18(7-8-4-5-10(15)21-8)12(19)11-9(14)6-16-13(17-11)20-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 24676476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).