4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide

C18H30N2OS — CID 60586889

IUPAC4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)Cc2csc(CC)n2)CC1
InChIInChI=1S/C18H30N2OS/c1-4-6-7-14-8-10-15(11-9-14)18(21)20(3)12-16-13-22-17(5-2)19-16/h13-15H,4-12H2,1-3H3
InChIKeyAGWCUIHHAXBWMT-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.66
Rot. Bonds7

About 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide

4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 60586889) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID60586889
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)Cc2csc(CC)n2)CC1
InChIInChI=1S/C18H30N2OS/c1-4-6-7-14-8-10-15(11-9-14)18(21)20(3)12-16-13-22-17(5-2)19-16/h13-15H,4-12H2,1-3H3
InChIKeyAGWCUIHHAXBWMT-UHFFFAOYSA-N
XLogP4.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 108726497
N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 134001099
(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 95295979
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
N-(2-bromopropyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 80665597
2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244970
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 113476620
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
CID 61030682
2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 119750347

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 60586889) is 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(C)Cc2csc(CC)n2)CC1.
What is the InChIKey of 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is AGWCUIHHAXBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-4-6-7-14-8-10-15(11-9-14)18(21)20(3)12-16-13-22-17(5-2)19-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 322.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 60586889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).