N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide

C20H19N3OS — CID 97222886

IUPACN-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
SMILESC[C@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1
InChIInChI=1S/C20H19N3OS/c1-14(18-4-2-3-11-21-18)23(17-9-10-17)20(24)16-7-5-15(6-8-16)19-12-25-13-22-19/h2-8,11-14,17H,9-10H2,1H3/t14-/m1/s1
InChIKeyRWKLMCZFEVXPEV-CQSZACIVSA-N
MW349.46 g/mol
LogP4.57
Rot. Bonds5

About N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide

N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 97222886) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
PubChem CID97222886
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
SMILESC[C@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1
InChIInChI=1S/C20H19N3OS/c1-14(18-4-2-3-11-21-18)23(17-9-10-17)20(24)16-7-5-15(6-8-16)19-12-25-13-22-19/h2-8,11-14,17H,9-10H2,1H3/t14-/m1/s1
InChIKeyRWKLMCZFEVXPEV-CQSZACIVSA-N
XLogP4.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide
CID 75378493
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 96521620
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 71866938
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 95786667
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
CID 5272560

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide (CID 97222886) is N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide is C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is RWKLMCZFEVXPEV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14(18-4-2-3-11-21-18)23(17-9-10-17)20(24)16-7-5-15(6-8-16)19-12-25-13-22-19/h2-8,11-14,17H,9-10H2,1H3/t14-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide?
N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 97222886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).