2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide

C16H19N3OS — CID 64822199

IUPAC2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H19N3OS/c17-14-4-2-1-3-13(14)15(20)19-12-7-5-11(6-8-12)16-18-9-10-21-16/h5-10,13-14H,1-4,17H2,(H,19,20)
InChIKeySIFATNIJJDCFEJ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide

2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 64822199) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID64822199
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H19N3OS/c17-14-4-2-1-3-13(14)15(20)19-12-7-5-11(6-8-12)16-18-9-10-21-16/h5-10,13-14H,1-4,17H2,(H,19,20)
InChIKeySIFATNIJJDCFEJ-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 63044488
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
CID 81179825
N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949
2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide (CID 64822199) is 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is SIFATNIJJDCFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-14-4-2-1-3-13(14)15(20)19-12-7-5-11(6-8-12)16-18-9-10-21-16/h5-10,13-14H,1-4,17H2,(H,19,20).
What are the key properties of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).