3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol

C10H17NOS — CID 66057736

IUPAC3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol
SMILESCc1ncc(CC(CO)C(C)C)s1
InChIInChI=1S/C10H17NOS/c1-7(2)9(6-12)4-10-5-11-8(3)13-10/h5,7,9,12H,4,6H2,1-3H3
InChIKeyKZSHTMOZKSLANK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.26
Rot. Bonds4

About 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol

3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol (PubChem CID 66057736) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol
PubChem CID66057736
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol
SMILESCc1ncc(CC(CO)C(C)C)s1
InChIInChI=1S/C10H17NOS/c1-7(2)9(6-12)4-10-5-11-8(3)13-10/h5,7,9,12H,4,6H2,1-3H3
InChIKeyKZSHTMOZKSLANK-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol
CID 66060461
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376
dipropan-2-yl 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propanedioate
CID 103972703
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
5-[2-(chloromethyl)-3,3-dimethylbutyl]-2-methyl-1,3-thiazole
CID 83139081
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol (CID 66057736) is 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol is Cc1ncc(CC(CO)C(C)C)s1.
What is the InChIKey of 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol?
The InChIKey is KZSHTMOZKSLANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(2)9(6-12)4-10-5-11-8(3)13-10/h5,7,9,12H,4,6H2,1-3H3.
What are the key properties of 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol?
3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol is sourced from PubChem (CID 66057736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).