2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine

C15H26N2S — CID 54913023

IUPAC2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C15H26N2S/c1-11-10-18-14(17-11)9-16-13-8-6-5-7-12(13)15(2,3)4/h10,12-13,16H,5-9H2,1-4H3
InChIKeySRKLFKOKSOKJGJ-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.15
Rot. Bonds3

About 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 54913023) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID54913023
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C15H26N2S/c1-11-10-18-14(17-11)9-16-13-8-6-5-7-12(13)15(2,3)4/h10,12-13,16H,5-9H2,1-4H3
InChIKeySRKLFKOKSOKJGJ-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,3R,5R)-2,6,6-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 145957974
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 75383313
(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
CID 164632300
2-[2-[(4S)-4-methylpiperidin-2-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 144410151
2-(3-butan-2-yl-5,5-difluoroazocan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 146182619
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730751
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64366302
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64366303

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 54913023) is 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1csc(CNC2CCCCC2C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is SRKLFKOKSOKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11-10-18-14(17-11)9-16-13-8-6-5-7-12(13)15(2,3)4/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 54913023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).