N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide

C20H19N3OS — CID 75378493

IUPACN-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide
SMILESCC(c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1
InChIInChI=1S/C20H19N3OS/c1-14(17-3-2-10-21-11-17)23(18-8-9-18)20(24)16-6-4-15(5-7-16)19-12-25-13-22-19/h2-7,10-14,18H,8-9H2,1H3
InChIKeyQSDWEJYXORNGOP-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.57
Rot. Bonds5

About N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide

N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 75378493) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide
PubChem CID75378493
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide
SMILESCC(c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1
InChIInChI=1S/C20H19N3OS/c1-14(17-3-2-10-21-11-17)23(18-8-9-18)20(24)16-6-4-15(5-7-16)19-12-25-13-22-19/h2-7,10-14,18H,8-9H2,1H3
InChIKeyQSDWEJYXORNGOP-UHFFFAOYSA-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

2-amino-N-cyclopropyl-5-nitro-N-(1-pyridin-3-ylethyl)benzamide
CID 119034790
N-cyclopropyl-4-pyridin-2-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95625250
tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95293877
N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
CID 95145430
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-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 95277971
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 95283248
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
N-ethyl-N-(2-hydroxyethyl)-4-(1,3-thiazol-4-yl)benzamide
CID 109468370
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide (CID 75378493) is N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide is CC(c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is QSDWEJYXORNGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14(17-3-2-10-21-11-17)23(18-8-9-18)20(24)16-6-4-15(5-7-16)19-12-25-13-22-19/h2-7,10-14,18H,8-9H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide?
N-cyclopropyl-N-(1-pyridin-3-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-(1-pyridin-3-ylethyl)-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 75378493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).