N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C14H13N3OS — CID 127042958

IUPACN-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCc1ccccc1
InChIInChI=1S/C14H13N3OS/c1-10-12(17-7-8-19-14(17)16-10)13(18)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,18)
InChIKeyYAQXVWDTHJYPNE-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.63
Rot. Bonds3

About N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 127042958) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID127042958
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCc1ccccc1
InChIInChI=1S/C14H13N3OS/c1-10-12(17-7-8-19-14(17)16-10)13(18)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,18)
InChIKeyYAQXVWDTHJYPNE-UHFFFAOYSA-N
XLogP2.63
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,6-dihydro-2H-pyridin-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72546332
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 155564667
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
Imidazo[2,1-b]thiazole-5-carboxamide,6-methyl-N-[(3R)-1-[[2-methyl-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-3-piperidinyl]-
CID 24808511
Imidazo[2,1-b]thiazole-5-carboxamide,6-methyl-N-[[(1S,3S,5S)-2-[[2-methyl-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-2-azabicyclo[3.1.0]hex-3-yl]Methyl]-
CID 24853522
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)thiazole-5-carboxamide
CID 59481293
N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]methyl]-2,6-dimethyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 126710488
6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 2759102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 127042958) is N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is YAQXVWDTHJYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-12(17-7-8-19-14(17)16-10)13(18)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,18).
What are the key properties of N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 127042958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).