3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide

C11H11ClN6OS — CID 91764898

IUPAC3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]nc(N)c1Cl)c1cn2ccsc2n1
InChIInChI=1S/C11H11ClN6OS/c1-5(6-4-18-2-3-20-11(18)15-6)14-10(19)8-7(12)9(13)17-16-8/h2-5H,1H3,(H,14,19)(H3,13,16,17)
InChIKeyWMPCOMWAMVGLEW-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.85
Rot. Bonds3

About 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 91764898) has the molecular formula C11H11ClN6OS and a molecular weight of 310.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID91764898
Molecular FormulaC11H11ClN6OS
Molecular Weight310.77 g/mol
Exact Mass310.04
IUPAC Name3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]nc(N)c1Cl)c1cn2ccsc2n1
InChIInChI=1S/C11H11ClN6OS/c1-5(6-4-18-2-3-20-11(18)15-6)14-10(19)8-7(12)9(13)17-16-8/h2-5H,1H3,(H,14,19)(H3,13,16,17)
InChIKeyWMPCOMWAMVGLEW-UHFFFAOYSA-N
XLogP1.85
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
CID 99933087
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180
5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
CID 97114717
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 95558715
(2R)-2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid
CID 51674828
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-morpholin-4-ylacetamide
CID 118773641
2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride
CID 53444457
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70780210
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818095
N-cyclopropyl-2-[4-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylcarbamoylamino)phenyl]acetamide
CID 72866619
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 95873907

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide (CID 91764898) is 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]nc(N)c1Cl)c1cn2ccsc2n1.
What is the InChIKey of 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WMPCOMWAMVGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6OS/c1-5(6-4-18-2-3-20-11(18)15-6)14-10(19)8-7(12)9(13)17-16-8/h2-5H,1H3,(H,14,19)(H3,13,16,17).
What are the key properties of 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 310.77 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91764898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).