3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C13H23N3OS — CID 108795401

IUPAC3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C13H23N3OS/c1-5-6-8-16(4)9-7-12(17)15-13-14-10(2)11(3)18-13/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyQCUGIIXNKSHBIZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.82
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 108795401) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID108795401
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C13H23N3OS/c1-5-6-8-16(4)9-7-12(17)15-13-14-10(2)11(3)18-13/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyQCUGIIXNKSHBIZ-UHFFFAOYSA-N
XLogP2.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108795382
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 154106972
2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 7412309
2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium
CID 7430661
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
CID 4584251
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 108795401) is 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is CCCCN(C)CCC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QCUGIIXNKSHBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-6-8-16(4)9-7-12(17)15-13-14-10(2)11(3)18-13/h5-9H2,1-4H3,(H,14,15,17).
What are the key properties of 3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 269.41 g/mol, XLogP of 2.82, 7 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-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 108795401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).