N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine

C10H15FN2S — CID 130719406

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(N[C@@H]2CCCC[C@H]2F)s1
InChIInChI=1S/C10H15FN2S/c1-7-6-12-10(14-7)13-9-5-3-2-4-8(9)11/h6,8-9H,2-5H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyVYSYPJRNGBTKOK-RKDXNWHRSA-N
MW214.31 g/mol
LogP3.14
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine

N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 130719406) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID130719406
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(N[C@@H]2CCCC[C@H]2F)s1
InChIInChI=1S/C10H15FN2S/c1-7-6-12-10(14-7)13-9-5-3-2-4-8(9)11/h6,8-9H,2-5H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyVYSYPJRNGBTKOK-RKDXNWHRSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine (CID 130719406) is N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(N[C@@H]2CCCC[C@H]2F)s1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is VYSYPJRNGBTKOK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-7-6-12-10(14-7)13-9-5-3-2-4-8(9)11/h6,8-9H,2-5H2,1H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine?
N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 214.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130719406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).