N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C14H21N3OS — CID 34742403

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H21N3OS/c1-10-12(14(15-2)19-17-10)13(18)16-9-8-11-6-4-3-5-7-11/h6,15H,3-5,7-9H2,1-2H3,(H,16,18)
InChIKeyFRKADBLGTCBBDA-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 34742403) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID34742403
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H21N3OS/c1-10-12(14(15-2)19-17-10)13(18)16-9-8-11-6-4-3-5-7-11/h6,15H,3-5,7-9H2,1-2H3,(H,16,18)
InChIKeyFRKADBLGTCBBDA-UHFFFAOYSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110849125
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110680939
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950848
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847445
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23772096
N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374794

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 34742403) is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is FRKADBLGTCBBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-12(14(15-2)19-17-10)13(18)16-9-8-11-6-4-3-5-7-11/h6,15H,3-5,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 34742403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).