N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine

C13H22N2S — CID 115724057

IUPACN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NC(c1nc(C)cs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-4-5-9(2)14-12(11-6-7-11)13-15-10(3)8-16-13/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyOUZNXZUNUMIKCP-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.68
Rot. Bonds6

About N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine

N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine (PubChem CID 115724057) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
PubChem CID115724057
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NC(c1nc(C)cs1)C1CC1
InChIInChI=1S/C13H22N2S/c1-4-5-9(2)14-12(11-6-7-11)13-15-10(3)8-16-13/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyOUZNXZUNUMIKCP-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine (CID 115724057) is N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine is CCCC(C)NC(c1nc(C)cs1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine?
The InChIKey is OUZNXZUNUMIKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-5-9(2)14-12(11-6-7-11)13-15-10(3)8-16-13/h8-9,11-12,14H,4-7H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine?
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115724057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).