[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol

C11H18N2OS — CID 62525855

IUPAC[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2nccs2)CC1
InChIInChI=1S/C11H18N2OS/c1-9-2-4-11(8-14,5-3-9)13-10-12-6-7-15-10/h6-7,9,14H,2-5,8H2,1H3,(H,12,13)
InChIKeyMPHRWGSBNUZYAL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.50
Rot. Bonds3

About [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol

[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol (PubChem CID 62525855) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
PubChem CID62525855
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2nccs2)CC1
InChIInChI=1S/C11H18N2OS/c1-9-2-4-11(8-14,5-3-9)13-10-12-6-7-15-10/h6-7,9,14H,2-5,8H2,1H3,(H,12,13)
InChIKeyMPHRWGSBNUZYAL-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(methoxymethyl)cyclobutyl]-1,3-thiazol-2-amine
CID 131043174
2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
CID 79846026
[4-methyl-1-[(4-methyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 62525331
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
[1-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80918902
[1-[(5-iodopyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 66341480
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759472
[4-methyl-1-(quinoxalin-2-ylamino)cyclohexyl]methanol
CID 62525503
trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol
CID 94469672

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol (CID 62525855) is [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol is CC1CCC(CO)(Nc2nccs2)CC1.
What is the InChIKey of [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol?
The InChIKey is MPHRWGSBNUZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-2-4-11(8-14,5-3-9)13-10-12-6-7-15-10/h6-7,9,14H,2-5,8H2,1H3,(H,12,13).
What are the key properties of [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol?
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol has a molecular weight of 226.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 62525855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).