1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine

C14H24N2S — CID 64515722

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
SMILESCc1nc(C2(NC(C)C)CCC(C)C2)sc1C
InChIInChI=1S/C14H24N2S/c1-9(2)16-14(7-6-10(3)8-14)13-15-11(4)12(5)17-13/h9-10,16H,6-8H2,1-5H3
InChIKeyCXFCVQXFVKWENV-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.77
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine (PubChem CID 64515722) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
PubChem CID64515722
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
SMILESCc1nc(C2(NC(C)C)CCC(C)C2)sc1C
InChIInChI=1S/C14H24N2S/c1-9(2)16-14(7-6-10(3)8-14)13-15-11(4)12(5)17-13/h9-10,16H,6-8H2,1-5H3
InChIKeyCXFCVQXFVKWENV-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine (CID 64515722) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine is Cc1nc(C2(NC(C)C)CCC(C)C2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is CXFCVQXFVKWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(2)16-14(7-6-10(3)8-14)13-15-11(4)12(5)17-13/h9-10,16H,6-8H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 64515722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).