N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine

C11H18ClN3S — CID 94183920

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)[C@H](C)N(Cc1nnsc1Cl)C1CC1
InChIInChI=1S/C11H18ClN3S/c1-7(2)8(3)15(9-4-5-9)6-10-11(12)16-14-13-10/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyWGVABIGPZRSBSG-QMMMGPOBSA-N
MW259.81 g/mol
LogP3.20
Rot. Bonds5

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine (PubChem CID 94183920) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
PubChem CID94183920
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)[C@H](C)N(Cc1nnsc1Cl)C1CC1
InChIInChI=1S/C11H18ClN3S/c1-7(2)8(3)15(9-4-5-9)6-10-11(12)16-14-13-10/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyWGVABIGPZRSBSG-QMMMGPOBSA-N
XLogP3.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]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-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine (CID 94183920) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine is CC(C)[C@H](C)N(Cc1nnsc1Cl)C1CC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
The InChIKey is WGVABIGPZRSBSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-7(2)8(3)15(9-4-5-9)6-10-11(12)16-14-13-10/h7-9H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine has a molecular weight of 259.81 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine is sourced from PubChem (CID 94183920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).