3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol

C10H18N2OS — CID 115655890

IUPAC3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESCc1ncsc1CNC(C)(C)CCO
InChIInChI=1S/C10H18N2OS/c1-8-9(14-7-11-8)6-12-10(2,3)4-5-13/h7,12-13H,4-6H2,1-3H3
InChIKeyWNMQWOPUPZJBIZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.70
Rot. Bonds5

About 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol

3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (PubChem CID 115655890) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
PubChem CID115655890
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESCc1ncsc1CNC(C)(C)CCO
InChIInChI=1S/C10H18N2OS/c1-8-9(14-7-11-8)6-12-10(2,3)4-5-13/h7,12-13H,4-6H2,1-3H3
InChIKeyWNMQWOPUPZJBIZ-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

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Related Compounds

3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 106096010
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
N,2-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 164663998
(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol
CID 96936562
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (CID 115655890) is 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is Cc1ncsc1CNC(C)(C)CCO.
What is the InChIKey of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The InChIKey is WNMQWOPUPZJBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-9(14-7-11-8)6-12-10(2,3)4-5-13/h7,12-13H,4-6H2,1-3H3.
What are the key properties of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-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 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 115655890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).