[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol

C9H14N2OS — CID 62780671

IUPAC[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(C)C2CC2)sc1CO
InChIInChI=1S/C9H14N2OS/c1-6-8(5-12)13-9(10-6)11(2)7-3-4-7/h7,12H,3-5H2,1-2H3
InChIKeyLJGSZTAMUJMVIF-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.54
Rot. Bonds3

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

[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780671) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID62780671
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(C)C2CC2)sc1CO
InChIInChI=1S/C9H14N2OS/c1-6-8(5-12)13-9(10-6)11(2)7-3-4-7/h7,12H,3-5H2,1-2H3
InChIKeyLJGSZTAMUJMVIF-UHFFFAOYSA-N
XLogP1.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117666
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62769039
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79115372
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768282
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764465

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol (CID 62780671) is [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(N(C)C2CC2)sc1CO.
What is the InChIKey of [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is LJGSZTAMUJMVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-8(5-12)13-9(10-6)11(2)7-3-4-7/h7,12H,3-5H2,1-2H3.
What are the key properties of [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol?
[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 198.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).