N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide

C15H22N2OS — CID 118778321

IUPACN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C15H22N2OS/c1-10(2)15-17-11(3)13(19-15)9-16-14(18)12-7-5-4-6-8-12/h4-5,10,12H,6-9H2,1-3H3,(H,16,18)
InChIKeyQFNWJCPIEBOERA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.55
Rot. Bonds4

About N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 118778321) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID118778321
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1nc(C(C)C)sc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C15H22N2OS/c1-10(2)15-17-11(3)13(19-15)9-16-14(18)12-7-5-4-6-8-12/h4-5,10,12H,6-9H2,1-3H3,(H,16,18)
InChIKeyQFNWJCPIEBOERA-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1S)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97040606
(3S)-1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97114027
1-[2-(tert-butylamino)-2-oxoethyl]-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 170152829
N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
CID 50956481
(1S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019867
(1R)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019865
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 118778321) is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide is Cc1nc(C(C)C)sc1CNC(=O)C1CC=CCC1.
What is the InChIKey of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QFNWJCPIEBOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(2)15-17-11(3)13(19-15)9-16-14(18)12-7-5-4-6-8-12/h4-5,10,12H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 118778321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).