2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol

C10H18N2OS — CID 79361912

IUPAC2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
SMILESCc1nc(CNCCC(C)(C)O)cs1
InChIInChI=1S/C10H18N2OS/c1-8-12-9(7-14-8)6-11-5-4-10(2,3)13/h7,11,13H,4-6H2,1-3H3
InChIKeyIVCLCXYKJKZFCG-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.70
Rot. Bonds5

About 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol

2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol (PubChem CID 79361912) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
PubChem CID79361912
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
SMILESCc1nc(CNCCC(C)(C)O)cs1
InChIInChI=1S/C10H18N2OS/c1-8-12-9(7-14-8)6-11-5-4-10(2,3)13/h7,11,13H,4-6H2,1-3H3
InChIKeyIVCLCXYKJKZFCG-UHFFFAOYSA-N
XLogP1.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
CID 115654712
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
CID 115595237
3-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115748996
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 54935908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol (CID 79361912) is 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol is Cc1nc(CNCCC(C)(C)O)cs1.
What is the InChIKey of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The InChIKey is IVCLCXYKJKZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-12-9(7-14-8)6-11-5-4-10(2,3)13/h7,11,13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 79361912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).