(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide

C14H18N4OS — CID 108831459

IUPAC(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide
SMILESCc1csc(N/C=C(/C#N)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H18N4OS/c1-10-9-20-14(17-10)16-8-11(7-15)13(19)18-12-5-3-2-4-6-12/h8-9,12H,2-6H2,1H3,(H,16,17)(H,18,19)/b11-8-
InChIKeySPLIJUYQWGPQNI-FLIBITNWSA-N
MW290.39 g/mol
LogP2.72
Rot. Bonds4

About (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide (PubChem CID 108831459) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide
PubChem CID108831459
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide
SMILESCc1csc(N/C=C(/C#N)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H18N4OS/c1-10-9-20-14(17-10)16-8-11(7-15)13(19)18-12-5-3-2-4-6-12/h8-9,12H,2-6H2,1H3,(H,16,17)(H,18,19)/b11-8-
InChIKeySPLIJUYQWGPQNI-FLIBITNWSA-N
XLogP2.72
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-cyclododecyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]prop-2-enamide
CID 108862749
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
ethyl 2-cyano-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enoate
CID 53397784
(Z)-2-cyano-N-[1-(4-ethylphenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide
CID 108848534
(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide
CID 108831358
(Z)-2-cyano-3-[(4-methyl-1,3-thiazol-2-yl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848907
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-2-cyano-N-cyclododecyl-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108862748
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835417

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide (CID 108831459) is (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide is Cc1csc(N/C=C(/C#N)C(=O)NC2CCCCC2)n1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide?
The InChIKey is SPLIJUYQWGPQNI-FLIBITNWSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-9-20-14(17-10)16-8-11(7-15)13(19)18-12-5-3-2-4-6-12/h8-9,12H,2-6H2,1H3,(H,16,17)(H,18,19)/b11-8-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide has a molecular weight of 290.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide is sourced from PubChem (CID 108831459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).