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

C17H16N6OS — CID 97140479

IUPACN-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn2ccsc2n1
InChIInChI=1S/C17H16N6OS/c24-16(15-10-22-8-9-25-17(22)21-15)20-14(13-4-2-1-3-5-13)6-7-23-12-18-11-19-23/h1-5,8-12,14H,6-7H2,(H,20,24)/t14-/m0/s1
InChIKeyQGZLVCXVOXFVHA-AWEZNQCLSA-N
MW352.42 g/mol
LogP2.55
Rot. Bonds6

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

N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 97140479) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID97140479
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC NameN-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn2ccsc2n1
InChIInChI=1S/C17H16N6OS/c24-16(15-10-22-8-9-25-17(22)21-15)20-14(13-4-2-1-3-5-13)6-7-23-12-18-11-19-23/h1-5,8-12,14H,6-7H2,(H,20,24)/t14-/m0/s1
InChIKeyQGZLVCXVOXFVHA-AWEZNQCLSA-N
XLogP2.55
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
2-cyclopropyl-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 25301438
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
CID 72877180
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041158
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 97140479) is N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn2ccsc2n1.
What is the InChIKey of N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QGZLVCXVOXFVHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N6OS/c24-16(15-10-22-8-9-25-17(22)21-15)20-14(13-4-2-1-3-5-13)6-7-23-12-18-11-19-23/h1-5,8-12,14H,6-7H2,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 97140479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).