N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine

C15H20N4S — CID 66116918

IUPACN-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
SMILESCn1cncc1C(NC1CC1)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N4S/c1-19-9-16-8-12(19)14(17-10-6-7-10)15-18-11-4-2-3-5-13(11)20-15/h8-10,14,17H,2-7H2,1H3
InChIKeyFMFQEMVAJUNDOT-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.60
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine

N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine (PubChem CID 66116918) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
PubChem CID66116918
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
SMILESCn1cncc1C(NC1CC1)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N4S/c1-19-9-16-8-12(19)14(17-10-6-7-10)15-18-11-4-2-3-5-13(11)20-15/h8-10,14,17H,2-7H2,1H3
InChIKeyFMFQEMVAJUNDOT-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]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-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine (CID 66116918) is N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine is Cn1cncc1C(NC1CC1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is FMFQEMVAJUNDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19-9-16-8-12(19)14(17-10-6-7-10)15-18-11-4-2-3-5-13(11)20-15/h8-10,14,17H,2-7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 288.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66116918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).