N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine

C16H19ClN2OS — CID 15956113

IUPACN-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCC1CCCCC1
InChIInChI=1S/C16H19ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,18,19)
InChIKeyIIVKYZICAVRTSQ-UHFFFAOYSA-N
MW322.86 g/mol
LogP5.50
Rot. Bonds5

About N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine

N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956113) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956113
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCC1CCCCC1
InChIInChI=1S/C16H19ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,18,19)
InChIKeyIIVKYZICAVRTSQ-UHFFFAOYSA-N
XLogP5.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.86
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 15956113) is N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine is Clc1ccc(Nc2nccs2)cc1OCC1CCCCC1.
What is the InChIKey of N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IIVKYZICAVRTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,18,19).
What are the key properties of N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 322.86 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).