2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one

C13H20N2OS — CID 63837523

IUPAC2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1ncsc1CN(C)CC1CCCCC1=O
InChIInChI=1S/C13H20N2OS/c1-10-13(17-9-14-10)8-15(2)7-11-5-3-4-6-12(11)16/h9,11H,3-8H2,1-2H3
InChIKeyWSUHXMJTYSFWNM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.64
Rot. Bonds4

About 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one

2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 63837523) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID63837523
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1ncsc1CN(C)CC1CCCCC1=O
InChIInChI=1S/C13H20N2OS/c1-10-13(17-9-14-10)8-15(2)7-11-5-3-4-6-12(11)16/h9,11H,3-8H2,1-2H3
InChIKeyWSUHXMJTYSFWNM-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,11R)-9-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199407
3-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 55170336
2-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55258294
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
CID 55261726
1-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde
CID 55262116
2-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cycloheptan-1-one
CID 55262117
1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 55262159
N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 60507331
2-[[Methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62614924
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 63280603
2-Methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63280791
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide
CID 63281136

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one (CID 63837523) is 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one is Cc1ncsc1CN(C)CC1CCCCC1=O.
What is the InChIKey of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is WSUHXMJTYSFWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-13(17-9-14-10)8-15(2)7-11-5-3-4-6-12(11)16/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 252.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63837523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).