N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine

C13H22N2S — CID 82433538

IUPACN-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCc1nc(C(C)C)c(CNC2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-9(2)13-12(16-10(3)15-13)8-14-11-6-4-5-7-11/h9,11,14H,4-8H2,1-3H3
InChIKeyUTTJBHXHFPSPKT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine

N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 82433538) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID82433538
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCc1nc(C(C)C)c(CNC2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-9(2)13-12(16-10(3)15-13)8-14-11-6-4-5-7-11/h9,11,14H,4-8H2,1-3H3
InChIKeyUTTJBHXHFPSPKT-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82434732
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82434388
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395527
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 23560686

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 82433538) is N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is Cc1nc(C(C)C)c(CNC2CCCC2)s1.
What is the InChIKey of N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is UTTJBHXHFPSPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)13-12(16-10(3)15-13)8-14-11-6-4-5-7-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 238.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82433538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).