trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C17H17N3O2S — CID 99773716

IUPACtrans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C17H17N3O2S/c1-22-15-5-3-2-4-12(15)13-8-14(13)16(21)18-9-11-10-20-6-7-23-17(20)19-11/h2-7,10,13-14H,8-9H2,1H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyHEGLVCJFJPUICI-UONOGXRCSA-N
MW327.41 g/mol
LogP2.82
Rot. Bonds5

About trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 99773716) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID99773716
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Nametrans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C17H17N3O2S/c1-22-15-5-3-2-4-12(15)13-8-14(13)16(21)18-9-11-10-20-6-7-23-17(20)19-11/h2-7,10,13-14H,8-9H2,1H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyHEGLVCJFJPUICI-UONOGXRCSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773714
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71898161
2-(2-methoxyphenyl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 56785478
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629375
trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95286253
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646156
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 99773716) is trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cn2ccsc2n1.
What is the InChIKey of trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HEGLVCJFJPUICI-UONOGXRCSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-15-5-3-2-4-12(15)13-8-14(13)16(21)18-9-11-10-20-6-7-23-17(20)19-11/h2-7,10,13-14H,8-9H2,1H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99773716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).