(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol

C10H13NOS — CID 11074318

IUPAC(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
SMILESC=CC[C@H](O)/C=C/c1csc(C)n1
InChIInChI=1S/C10H13NOS/c1-3-4-10(12)6-5-9-7-13-8(2)11-9/h3,5-7,10,12H,1,4H2,2H3/b6-5+/t10-/m0/s1
InChIKeyGCPPJOLVLSHSSZ-PORFMDCZSA-N
MW195.29 g/mol
LogP2.40
Rot. Bonds4

About (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol

(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol (PubChem CID 11074318) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
PubChem CID11074318
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
SMILESC=CC[C@H](O)/C=C/c1csc(C)n1
InChIInChI=1S/C10H13NOS/c1-3-4-10(12)6-5-9-7-13-8(2)11-9/h3,5-7,10,12H,1,4H2,2H3/b6-5+/t10-/m0/s1
InChIKeyGCPPJOLVLSHSSZ-PORFMDCZSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1E,3S)-2,3-dimethylhexa-1,5-dienyl]-2-methyl-1,3-thiazole;molecular hydrogen
CID 158873565
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458
4-(2-chloroethenyl)-2-methyl-1,3-thiazole
CID 141028514
4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
CID 79322364
N-(2-hydroxypropyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 76940068
2,2,3,3-tetramethyl-18-(2-methyl-1,3-thiazol-4-yl)-7-prop-2-enyloctadeca-13,17-dien-6-one
CID 154164217
(E)-N-[(2R)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 83058567
(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide
CID 115775601
1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
CID 105102094
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]butanoic acid
CID 79022664
(1E,3R,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-ol
CID 59922940

Frequently Asked Questions

What is the IUPAC name of (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
The IUPAC name of (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol (CID 11074318) is (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol is C=CC[C@H](O)/C=C/c1csc(C)n1.
What is the InChIKey of (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
The InChIKey is GCPPJOLVLSHSSZ-PORFMDCZSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-4-10(12)6-5-9-7-13-8(2)11-9/h3,5-7,10,12H,1,4H2,2H3/b6-5+/t10-/m0/s1.
What are the key properties of (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol has a molecular weight of 195.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 11074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).