2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine

C13H20N2S2 — CID 114283153

IUPAC2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCC2)nc1C1CCCSC1
InChIInChI=1S/C13H20N2S2/c14-12-11(10-6-3-7-16-8-10)15-13(17-12)9-4-1-2-5-9/h9-10H,1-8,14H2
InChIKeyLOZZUMFMOWDFOJ-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.99
Rot. Bonds2

About 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine

2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine (PubChem CID 114283153) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
PubChem CID114283153
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCC2)nc1C1CCCSC1
InChIInChI=1S/C13H20N2S2/c14-12-11(10-6-3-7-16-8-10)15-13(17-12)9-4-1-2-5-9/h9-10H,1-8,14H2
InChIKeyLOZZUMFMOWDFOJ-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-4-cyclopropyl-1,3-thiazol-5-amine
CID 62077032
6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 114283172
2-cyclopentyl-4-ethyl-1,3-thiazol-5-amine
CID 62076526
5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
CID 83703476
2-(2-cyclohexyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82437050
2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
6-(thian-3-yl)pyridazine-3,4-diamine
CID 117105573
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80610124
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide
CID 82437042
2-cyclobutyl-5-methyl-1,3-thiazol-4-amine
CID 83108026
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine (CID 114283153) is 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine is Nc1sc(C2CCCC2)nc1C1CCCSC1.
What is the InChIKey of 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine?
The InChIKey is LOZZUMFMOWDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c14-12-11(10-6-3-7-16-8-10)15-13(17-12)9-4-1-2-5-9/h9-10H,1-8,14H2.
What are the key properties of 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine?
2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine has a molecular weight of 268.45 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 114283153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).