5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide

C15H18N4O2S2 — CID 54041143

IUPAC5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
SMILESCc1cccc(CSc2nsc(NC(=O)N(C)C)c2C(N)=O)c1
InChIInChI=1S/C15H18N4O2S2/c1-9-5-4-6-10(7-9)8-22-14-11(12(16)20)13(23-18-14)17-15(21)19(2)3/h4-7H,8H2,1-3H3,(H2,16,20)(H,17,21)
InChIKeyLMKZRYMJSORLFM-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.94
Rot. Bonds5

About 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide

5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide (PubChem CID 54041143) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
PubChem CID54041143
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
SMILESCc1cccc(CSc2nsc(NC(=O)N(C)C)c2C(N)=O)c1
InChIInChI=1S/C15H18N4O2S2/c1-9-5-4-6-10(7-9)8-22-14-11(12(16)20)13(23-18-14)17-15(21)19(2)3/h4-7H,8H2,1-3H3,(H2,16,20)(H,17,21)
InChIKeyLMKZRYMJSORLFM-UHFFFAOYSA-N
XLogP2.94
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide (CID 54041143) is 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide is Cc1cccc(CSc2nsc(NC(=O)N(C)C)c2C(N)=O)c1.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide?
The InChIKey is LMKZRYMJSORLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-9-5-4-6-10(7-9)8-22-14-11(12(16)20)13(23-18-14)17-15(21)19(2)3/h4-7H,8H2,1-3H3,(H2,16,20)(H,17,21).
What are the key properties of 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide?
5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-[(3-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54041143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).