1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

C11H17NOS — CID 79436563

IUPAC1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCCC(O)C1CC1
InChIInChI=1S/C11H17NOS/c1-8-11(14-7-12-8)4-2-3-10(13)9-5-6-9/h7,9-10,13H,2-6H2,1H3
InChIKeyWMPOJPOFPGNDJR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (PubChem CID 79436563) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
PubChem CID79436563
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCCC(O)C1CC1
InChIInChI=1S/C11H17NOS/c1-8-11(14-7-12-8)4-2-3-10(13)9-5-6-9/h7,9-10,13H,2-6H2,1H3
InChIKeyWMPOJPOFPGNDJR-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (CID 79436563) is 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is Cc1ncsc1CCCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is WMPOJPOFPGNDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-11(14-7-12-8)4-2-3-10(13)9-5-6-9/h7,9-10,13H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 79436563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).