3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol

C10H17NOS — CID 116885395

IUPAC3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1nc(C(C)C)sc1CCCO
InChIInChI=1S/C10H17NOS/c1-7(2)10-11-8(3)9(13-10)5-4-6-12/h7,12H,4-6H2,1-3H3
InChIKeyABULPCLRLHKCEC-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.50
Rot. Bonds4

About 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol

3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 116885395) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
PubChem CID116885395
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1nc(C(C)C)sc1CCCO
InChIInChI=1S/C10H17NOS/c1-7(2)10-11-8(3)9(13-10)5-4-6-12/h7,12H,4-6H2,1-3H3
InChIKeyABULPCLRLHKCEC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol (CID 116885395) is 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol is Cc1nc(C(C)C)sc1CCCO.
What is the InChIKey of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is ABULPCLRLHKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(2)10-11-8(3)9(13-10)5-4-6-12/h7,12H,4-6H2,1-3H3.
What are the key properties of 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?
3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 116885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).