3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide

C24H29N3OS — CID 108738584

IUPAC3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESCCCCN(C)CCC(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H29N3OS/c1-3-4-14-27(2)15-13-23(28)25-17-19-9-8-12-21(16-19)24-26-22(18-29-24)20-10-6-5-7-11-20/h5-12,16,18H,3-4,13-15,17H2,1-2H3,(H,25,28)
InChIKeyBCRVCBPWFJJRNI-UHFFFAOYSA-N
MW407.58 g/mol
LogP5.22
Rot. Bonds10

About 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide

3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (PubChem CID 108738584) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
PubChem CID108738584
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC Name3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESCCCCN(C)CCC(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H29N3OS/c1-3-4-14-27(2)15-13-23(28)25-17-19-9-8-12-21(16-19)24-26-22(18-29-24)20-10-6-5-7-11-20/h5-12,16,18H,3-4,13-15,17H2,1-2H3,(H,25,28)
InChIKeyBCRVCBPWFJJRNI-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
3-[butyl(methyl)amino]-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]propanamide
CID 108725381
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
CID 108782465
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (CID 108738584) is 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is CCCCN(C)CCC(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The InChIKey is BCRVCBPWFJJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c1-3-4-14-27(2)15-13-23(28)25-17-19-9-8-12-21(16-19)24-26-22(18-29-24)20-10-6-5-7-11-20/h5-12,16,18H,3-4,13-15,17H2,1-2H3,(H,25,28).
What are the key properties of 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide has a molecular weight of 407.58 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 108738584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).