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

C15H18N6OS — CID 50957382

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1cn2ccsc2n1
InChIInChI=1S/C15H18N6OS/c22-14(12-9-20-6-7-23-15(20)18-12)16-8-13-19-17-10-21(13)11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,16,22)
InChIKeyYPDJMGUAMPMYRI-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.42
Rot. Bonds4

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

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 50957382) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID50957382
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1cn2ccsc2n1
InChIInChI=1S/C15H18N6OS/c22-14(12-9-20-6-7-23-15(20)18-12)16-8-13-19-17-10-21(13)11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,16,22)
InChIKeyYPDJMGUAMPMYRI-UHFFFAOYSA-N
XLogP2.42
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 50957382) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1nncn1C1CCCCC1)c1cn2ccsc2n1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is YPDJMGUAMPMYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c22-14(12-9-20-6-7-23-15(20)18-12)16-8-13-19-17-10-21(13)11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,16,22).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 330.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 50957382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).