2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

C22H23N3OS — CID 55919915

IUPAC2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(C1CC1)C(C)c1ccccn1
InChIInChI=1S/C22H23N3OS/c1-15-21(27-20(24-15)14-17-8-4-3-5-9-17)22(26)25(18-11-12-18)16(2)19-10-6-7-13-23-19/h3-10,13,16,18H,11-12,14H2,1-2H3
InChIKeySFDZMHIQZWENPI-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.80
Rot. Bonds6

About 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 55919915) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID55919915
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(C1CC1)C(C)c1ccccn1
InChIInChI=1S/C22H23N3OS/c1-15-21(27-20(24-15)14-17-8-4-3-5-9-17)22(26)25(18-11-12-18)16(2)19-10-6-7-13-23-19/h3-10,13,16,18H,11-12,14H2,1-2H3
InChIKeySFDZMHIQZWENPI-UHFFFAOYSA-N
XLogP4.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55668344
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
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-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide
CID 55925045
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 55919915) is 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)N(C1CC1)C(C)c1ccccn1.
What is the InChIKey of 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SFDZMHIQZWENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15-21(27-20(24-15)14-17-8-4-3-5-9-17)22(26)25(18-11-12-18)16(2)19-10-6-7-13-23-19/h3-10,13,16,18H,11-12,14H2,1-2H3.
What are the key properties of 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55919915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).