N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C14H16N6OS — CID 56722614

IUPACN-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC1CCC(n2cnnc2)CC1)c1cn2ccsc2n1
InChIInChI=1S/C14H16N6OS/c21-13(12-7-19-5-6-22-14(19)18-12)17-10-1-3-11(4-2-10)20-8-15-16-9-20/h5-11H,1-4H2,(H,17,21)
InChIKeyYMORQSBSWLCFQQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.90
Rot. Bonds3

About N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 56722614) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID56722614
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC NameN-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC1CCC(n2cnnc2)CC1)c1cn2ccsc2n1
InChIInChI=1S/C14H16N6OS/c21-13(12-7-19-5-6-22-14(19)18-12)17-10-1-3-11(4-2-10)20-8-15-16-9-20/h5-11H,1-4H2,(H,17,21)
InChIKeyYMORQSBSWLCFQQ-UHFFFAOYSA-N
XLogP1.90
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 56722614) is N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NC1CCC(n2cnnc2)CC1)c1cn2ccsc2n1.
What is the InChIKey of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is YMORQSBSWLCFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c21-13(12-7-19-5-6-22-14(19)18-12)17-10-1-3-11(4-2-10)20-8-15-16-9-20/h5-11H,1-4H2,(H,17,21).
What are the key properties of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 56722614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).