N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H20FN3O2S — CID 95101882

IUPACN-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)N[C@H](C)c2ccc(F)cc2)sc1C(=O)NC1CC1
InChIInChI=1S/C18H20FN3O2S/c1-10(12-3-5-13(19)6-4-12)20-15(23)9-16-21-11(2)17(25-16)18(24)22-14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,20,23)(H,22,24)/t10-/m1/s1
InChIKeyUVDQJLWIWXYZGL-SNVBAGLBSA-N
MW361.44 g/mol
LogP2.90
Rot. Bonds6

About N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 95101882) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID95101882
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC NameN-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)N[C@H](C)c2ccc(F)cc2)sc1C(=O)NC1CC1
InChIInChI=1S/C18H20FN3O2S/c1-10(12-3-5-13(19)6-4-12)20-15(23)9-16-21-11(2)17(25-16)18(24)22-14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,20,23)(H,22,24)/t10-/m1/s1
InChIKeyUVDQJLWIWXYZGL-SNVBAGLBSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
2-[(3,4-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50746395
cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678890
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 95101882) is N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)N[C@H](C)c2ccc(F)cc2)sc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UVDQJLWIWXYZGL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-10(12-3-5-13(19)6-4-12)20-15(23)9-16-21-11(2)17(25-16)18(24)22-14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,20,23)(H,22,24)/t10-/m1/s1.
What are the key properties of N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95101882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).