N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide

C10H11N3OS2 — CID 126834647

IUPACN,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccns2)ns1
InChIInChI=1S/C10H11N3OS2/c1-7-5-9(12-15-7)10(14)13(2)6-8-3-4-11-16-8/h3-5H,6H2,1-2H3
InChIKeyCGUMJJRPCJQNRW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.18
Rot. Bonds3

About N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide

N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide (PubChem CID 126834647) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide
PubChem CID126834647
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccns2)ns1
InChIInChI=1S/C10H11N3OS2/c1-7-5-9(12-15-7)10(14)13(2)6-8-3-4-11-16-8/h3-5H,6H2,1-2H3
InChIKeyCGUMJJRPCJQNRW-UHFFFAOYSA-N
XLogP2.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide (CID 126834647) is N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccns2)ns1.
What is the InChIKey of N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide?
The InChIKey is CGUMJJRPCJQNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-7-5-9(12-15-7)10(14)13(2)6-8-3-4-11-16-8/h3-5H,6H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide?
N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1,2-thiazol-5-ylmethyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126834647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).