7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide

C14H23N3OS — CID 119897286

IUPAC7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1nc(C2CC2)cs1
InChIInChI=1S/C14H23N3OS/c15-8-4-2-1-3-5-13(18)16-9-14-17-12(10-19-14)11-6-7-11/h10-11H,1-9,15H2,(H,16,18)
InChIKeySJCNMOXMTMENEV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds9

About 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide

7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide (PubChem CID 119897286) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
PubChem CID119897286
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1nc(C2CC2)cs1
InChIInChI=1S/C14H23N3OS/c15-8-4-2-1-3-5-13(18)16-9-14-17-12(10-19-14)11-6-7-11/h10-11H,1-9,15H2,(H,16,18)
InChIKeySJCNMOXMTMENEV-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide 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

7-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119839230
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016376
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897347
(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801327
N'-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617303
(2S)-2-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 99815752
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99618785
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897337
(2S)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081747

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide (CID 119897286) is 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide is NCCCCCCC(=O)NCc1nc(C2CC2)cs1.
What is the InChIKey of 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide?
The InChIKey is SJCNMOXMTMENEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c15-8-4-2-1-3-5-13(18)16-9-14-17-12(10-19-14)11-6-7-11/h10-11H,1-9,15H2,(H,16,18).
What are the key properties of 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide?
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide has a molecular weight of 281.42 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide is sourced from PubChem (CID 119897286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).