N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide

C11H15N5OS — CID 65204193

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H15N5OS/c1-7(2)9-10(18-15-14-9)11(17)16(3)6-8-12-4-5-13-8/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyPUPVIRHUSUHGRW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.66
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204193) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204193
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H15N5OS/c1-7(2)9-10(18-15-14-9)11(17)16(3)6-8-12-4-5-13-8/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyPUPVIRHUSUHGRW-UHFFFAOYSA-N
XLogP1.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204193) is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is PUPVIRHUSUHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7(2)9-10(18-15-14-9)11(17)16(3)6-8-12-4-5-13-8/h4-5,7H,6H2,1-3H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).