N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine

C14H23N3S — CID 66339547

IUPACN-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
SMILESc1sc(CNC2CC2)nc1CCCCNC1CC1
InChIInChI=1S/C14H23N3S/c1(2-8-15-11-4-5-11)3-13-10-18-14(17-13)9-16-12-6-7-12/h10-12,15-16H,1-9H2
InChIKeyDHUHFWDGKJDXFB-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.47
Rot. Bonds9

About N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine

N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine (PubChem CID 66339547) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
PubChem CID66339547
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
SMILESc1sc(CNC2CC2)nc1CCCCNC1CC1
InChIInChI=1S/C14H23N3S/c1(2-8-15-11-4-5-11)3-13-10-18-14(17-13)9-16-12-6-7-12/h10-12,15-16H,1-9H2
InChIKeyDHUHFWDGKJDXFB-UHFFFAOYSA-N
XLogP2.47
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine (CID 66339547) is N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine is c1sc(CNC2CC2)nc1CCCCNC1CC1.
What is the InChIKey of N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine?
The InChIKey is DHUHFWDGKJDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1(2-8-15-11-4-5-11)3-13-10-18-14(17-13)9-16-12-6-7-12/h10-12,15-16H,1-9H2.
What are the key properties of N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine?
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine has a molecular weight of 265.43 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66339547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).