2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine

C13H22N2S — CID 115615912

IUPAC2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC(C)c1nc(CNC2CCCC2C)cs1
InChIInChI=1S/C13H22N2S/c1-9(2)13-15-11(8-16-13)7-14-12-6-4-5-10(12)3/h8-10,12,14H,4-7H2,1-3H3
InChIKeyHVVRJFWABOCKJZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.54
Rot. Bonds4

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

2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 115615912) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID115615912
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC(C)c1nc(CNC2CCCC2C)cs1
InChIInChI=1S/C13H22N2S/c1-9(2)13-15-11(8-16-13)7-14-12-6-4-5-10(12)3/h8-10,12,14H,4-7H2,1-3H3
InChIKeyHVVRJFWABOCKJZ-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine (CID 115615912) is 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine is CC(C)c1nc(CNC2CCCC2C)cs1.
What is the InChIKey of 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is HVVRJFWABOCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)13-15-11(8-16-13)7-14-12-6-4-5-10(12)3/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 115615912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).