N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine

C14H24N2S — CID 61059148

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
SMILESCc1nc(C)c(C(C)NC2CCCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-10-14(17-12(3)15-10)11(2)16-13-8-6-4-5-7-9-13/h11,13,16H,4-9H2,1-3H3
InChIKeyLLCREPXNSICVCT-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.13
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine (PubChem CID 61059148) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
PubChem CID61059148
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
SMILESCc1nc(C)c(C(C)NC2CCCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-10-14(17-12(3)15-10)11(2)16-13-8-6-4-5-7-9-13/h11,13,16H,4-9H2,1-3H3
InChIKeyLLCREPXNSICVCT-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine (CID 61059148) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine is Cc1nc(C)c(C(C)NC2CCCCCC2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine?
The InChIKey is LLCREPXNSICVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-14(17-12(3)15-10)11(2)16-13-8-6-4-5-7-9-13/h11,13,16H,4-9H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine has a molecular weight of 252.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 61059148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).