1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide

C16H27N3OS — CID 115441970

IUPAC1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C16H27N3OS/c1-11-5-7-16(10-17,8-6-11)13(20)19-14-18-12(9-21-14)15(2,3)4/h9,11H,5-8,10,17H2,1-4H3,(H,18,19,20)
InChIKeyLNHAWCVBGHOGSL-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.53
Rot. Bonds3

About 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115441970) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID115441970
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C16H27N3OS/c1-11-5-7-16(10-17,8-6-11)13(20)19-14-18-12(9-21-14)15(2,3)4/h9,11H,5-8,10,17H2,1-4H3,(H,18,19,20)
InChIKeyLNHAWCVBGHOGSL-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide (CID 115441970) is 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is LNHAWCVBGHOGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11-5-7-16(10-17,8-6-11)13(20)19-14-18-12(9-21-14)15(2,3)4/h9,11H,5-8,10,17H2,1-4H3,(H,18,19,20).
What are the key properties of 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).