1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C14H18N2S2 — CID 91653370

IUPAC1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCc1cc(-c2csc(C3(N)CCCC3)n2)c(C)s1
InChIInChI=1S/C14H18N2S2/c1-9-7-11(10(2)18-9)12-8-17-13(16-12)14(15)5-3-4-6-14/h7-8H,3-6,15H2,1-2H3
InChIKeyQTCRZCUWSCGIGU-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.22
Rot. Bonds2

About 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 91653370) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID91653370
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCc1cc(-c2csc(C3(N)CCCC3)n2)c(C)s1
InChIInChI=1S/C14H18N2S2/c1-9-7-11(10(2)18-9)12-8-17-13(16-12)14(15)5-3-4-6-14/h7-8H,3-6,15H2,1-2H3
InChIKeyQTCRZCUWSCGIGU-UHFFFAOYSA-N
XLogP4.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338658
1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61330263
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405815
1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61336907
1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61339023
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558260
1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 63993604
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338856
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(3-methylpyrazin-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 114080402
1-[5-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856823
1-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 64988732

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 91653370) is 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine is Cc1cc(-c2csc(C3(N)CCCC3)n2)c(C)s1.
What is the InChIKey of 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is QTCRZCUWSCGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-9-7-11(10(2)18-9)12-8-17-13(16-12)14(15)5-3-4-6-14/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 278.45 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 91653370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).