2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide

C15H25N3O2S — CID 42765568

IUPAC2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(CN(CCCC)C(C)=O)n1
InChIInChI=1S/C15H25N3O2S/c1-4-6-8-16-15(20)13-11-21-14(17-13)10-18(12(3)19)9-7-5-2/h11H,4-10H2,1-3H3,(H,16,20)
InChIKeyHAEAGCWZTTWIEE-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.82
Rot. Bonds9

About 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide

2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide (PubChem CID 42765568) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
PubChem CID42765568
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(CN(CCCC)C(C)=O)n1
InChIInChI=1S/C15H25N3O2S/c1-4-6-8-16-15(20)13-11-21-14(17-13)10-18(12(3)19)9-7-5-2/h11H,4-10H2,1-3H3,(H,16,20)
InChIKeyHAEAGCWZTTWIEE-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[butyl(decanoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5023262
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759
N-butyl-2-[[butyl-[(4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4001180
N-butyl-2-[[butyl-(2,4-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4587471
N-butyl-2-[[butyl-(3-chlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4645719
N-butyl-2-[[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4300335
2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4660175
2-[[benzylsulfonyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide
CID 3376378
2-[[(4-pentylbenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3256571
2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 3277643
N-butyl-2-[[butyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
CID 6083418
2-[[butylsulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765779

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide (CID 42765568) is 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide is CCCCNC(=O)c1csc(CN(CCCC)C(C)=O)n1.
What is the InChIKey of 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide?
The InChIKey is HAEAGCWZTTWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-6-8-16-15(20)13-11-21-14(17-13)10-18(12(3)19)9-7-5-2/h11H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide?
2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[acetyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42765568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).