N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C18H19N3OS — CID 97072647

IUPACN-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1ccccc1[C@H](NC(=O)Cc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C18H19N3OS/c1-12-4-2-3-5-15(12)17(13-6-7-13)20-16(22)10-14-11-21-8-9-23-18(21)19-14/h2-5,8-9,11,13,17H,6-7,10H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyDXTFGKVWLRHOKR-QGZVFWFLSA-N
MW325.44 g/mol
LogP3.51
Rot. Bonds5

About N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 97072647) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID97072647
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1ccccc1[C@H](NC(=O)Cc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C18H19N3OS/c1-12-4-2-3-5-15(12)17(13-6-7-13)20-16(22)10-14-11-21-8-9-23-18(21)19-14/h2-5,8-9,11,13,17H,6-7,10H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyDXTFGKVWLRHOKR-QGZVFWFLSA-N
XLogP3.51
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
CID 115332537
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91773303
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51254649
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide
CID 96527073
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
CID 95777440
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 71985729

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 97072647) is N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is Cc1ccccc1[C@H](NC(=O)Cc1cn2ccsc2n1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is DXTFGKVWLRHOKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-4-2-3-5-15(12)17(13-6-7-13)20-16(22)10-14-11-21-8-9-23-18(21)19-14/h2-5,8-9,11,13,17H,6-7,10H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 97072647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).