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

C16H19N3OS — CID 63044488

IUPAC3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(-c3nccs3)cc2)C1
InChIInChI=1S/C16H19N3OS/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h4-9,12-13H,1-3,10,17H2,(H,19,20)
InChIKeyNNTPEIQQQYOIEZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.27
Rot. Bonds3

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

3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 63044488) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID63044488
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(-c3nccs3)cc2)C1
InChIInChI=1S/C16H19N3OS/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h4-9,12-13H,1-3,10,17H2,(H,19,20)
InChIKeyNNTPEIQQQYOIEZ-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

2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119762129
N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759063
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide (CID 63044488) is 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(-c3nccs3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is NNTPEIQQQYOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h4-9,12-13H,1-3,10,17H2,(H,19,20).
What are the key properties of 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide?
3-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 3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).