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

C16H27N3OS — CID 119878944

IUPAC3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C16H27N3OS/c1-16(2,3)13-10-21-14(19-13)7-8-18-15(20)11-5-4-6-12(17)9-11/h10-12H,4-9,17H2,1-3H3,(H,18,20)
InChIKeyPMTICXPEWOVVCX-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.62
Rot. Bonds4

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

3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119878944) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119878944
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C16H27N3OS/c1-16(2,3)13-10-21-14(19-13)7-8-18-15(20)11-5-4-6-12(17)9-11/h10-12H,4-9,17H2,1-3H3,(H,18,20)
InChIKeyPMTICXPEWOVVCX-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
(3R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 96557631
(2S)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 95598721
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56827253
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide
CID 119696591
methyl (2R)-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 95598034
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882605
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 126795411

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 119878944) is 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide is CC(C)(C)c1csc(CCNC(=O)C2CCCC(N)C2)n1.
What is the InChIKey of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PMTICXPEWOVVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2,3)13-10-21-14(19-13)7-8-18-15(20)11-5-4-6-12(17)9-11/h10-12H,4-9,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119878944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).