N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide

C13H23N3OS — CID 64556265

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
SMILESCC(N)c1csc(NC(=O)CC(C)C(C)(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-8(13(3,4)5)6-11(17)16-12-15-10(7-18-12)9(2)14/h7-9H,6,14H2,1-5H3,(H,15,16,17)
InChIKeyCOGNSDVJCIZTNX-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.17
Rot. Bonds4

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide (PubChem CID 64556265) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
PubChem CID64556265
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
SMILESCC(N)c1csc(NC(=O)CC(C)C(C)(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-8(13(3,4)5)6-11(17)16-12-15-10(7-18-12)9(2)14/h7-9H,6,14H2,1-5H3,(H,15,16,17)
InChIKeyCOGNSDVJCIZTNX-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide
CID 64556065
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64556483
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide (CID 64556265) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide is CC(N)c1csc(NC(=O)CC(C)C(C)(C)C)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide?
The InChIKey is COGNSDVJCIZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(13(3,4)5)6-11(17)16-12-15-10(7-18-12)9(2)14/h7-9H,6,14H2,1-5H3,(H,15,16,17).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide has a molecular weight of 269.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 64556265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).