1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

C14H24N2S — CID 61338855

IUPAC1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCc1sc(C2(N)CCCCCC2)nc1C(C)C
InChIInChI=1S/C14H24N2S/c1-10(2)12-11(3)17-13(16-12)14(15)8-6-4-5-7-9-14/h10H,4-9,15H2,1-3H3
InChIKeyPVMFIQGEOIKUIH-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.08
Rot. Bonds2

About 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 61338855) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID61338855
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCc1sc(C2(N)CCCCCC2)nc1C(C)C
InChIInChI=1S/C14H24N2S/c1-10(2)12-11(3)17-13(16-12)14(15)8-6-4-5-7-9-14/h10H,4-9,15H2,1-3H3
InChIKeyPVMFIQGEOIKUIH-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61338247
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61337483
ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527165
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332454
1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335106
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 115994516
1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61330263
1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61336907
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405815
1-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338658
4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61332257
1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 114872035

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (CID 61338855) is 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is Cc1sc(C2(N)CCCCCC2)nc1C(C)C.
What is the InChIKey of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is PVMFIQGEOIKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)12-11(3)17-13(16-12)14(15)8-6-4-5-7-9-14/h10H,4-9,15H2,1-3H3.
What are the key properties of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 61338855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).