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

C15H26N2S2 — CID 82434388

IUPACN-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCCSCc1nc(C(C)C)c(CNC2CCCC2)s1
InChIInChI=1S/C15H26N2S2/c1-4-18-10-14-17-15(11(2)3)13(19-14)9-16-12-7-5-6-8-12/h11-12,16H,4-10H2,1-3H3
InChIKeyNHLNMAPSPOFLGT-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.55
Rot. Bonds7

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

N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82434388) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82434388
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC NameN-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCCSCc1nc(C(C)C)c(CNC2CCCC2)s1
InChIInChI=1S/C15H26N2S2/c1-4-18-10-14-17-15(11(2)3)13(19-14)9-16-12-7-5-6-8-12/h11-12,16H,4-10H2,1-3H3
InChIKeyNHLNMAPSPOFLGT-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82433538
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434378
N-[(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82434732
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435281
N-[[2-[(3-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365521
N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392792
[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434438

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82434388) is N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine is CCSCc1nc(C(C)C)c(CNC2CCCC2)s1.
What is the InChIKey of N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is NHLNMAPSPOFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-4-18-10-14-17-15(11(2)3)13(19-14)9-16-12-7-5-6-8-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 298.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82434388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).