1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol

C12H19NOS2 — CID 115090197

IUPAC1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(CC2CCSCC2)s1
InChIInChI=1S/C12H19NOS2/c1-9(14)6-11-8-13-12(16-11)7-10-2-4-15-5-3-10/h8-10,14H,2-7H2,1H3
InChIKeyYJDQZUBAZJNLLQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol

1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 115090197) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID115090197
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC Name1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(CC2CCSCC2)s1
InChIInChI=1S/C12H19NOS2/c1-9(14)6-11-8-13-12(16-11)7-10-2-4-15-5-3-10/h8-10,14H,2-7H2,1H3
InChIKeyYJDQZUBAZJNLLQ-UHFFFAOYSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
CID 115090169
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091086
1-[2-(thian-4-ylmethyl)-1,3-oxazol-5-yl]ethanol
CID 115085353
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
CID 115091474
1-(2-cyclohexyl-1,3-thiazol-5-yl)propan-2-ol
CID 115091994
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090109
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090127
1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115090159
1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171594182
1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091580
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 115090197) is 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol is CC(O)Cc1cnc(CC2CCSCC2)s1.
What is the InChIKey of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is YJDQZUBAZJNLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-9(14)6-11-8-13-12(16-11)7-10-2-4-15-5-3-10/h8-10,14H,2-7H2,1H3.
What are the key properties of 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115090197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).