(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol

C7H9NOS — CID 22244458

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
SMILESCc1nc(/C=C/CO)cs1
InChIInChI=1S/C7H9NOS/c1-6-8-7(5-10-6)3-2-4-9/h2-3,5,9H,4H2,1H3/b3-2+
InChIKeyUIGVSHFWKRHCSH-NSCUHMNNSA-N
MW155.22 g/mol
LogP1.46
Rot. Bonds2

About (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol

(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol (PubChem CID 22244458) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
PubChem CID22244458
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
SMILESCc1nc(/C=C/CO)cs1
InChIInChI=1S/C7H9NOS/c1-6-8-7(5-10-6)3-2-4-9/h2-3,5,9H,4H2,1H3/b3-2+
InChIKeyUIGVSHFWKRHCSH-NSCUHMNNSA-N
XLogP1.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
CID 79322364
4-(2-chloroethenyl)-2-methyl-1,3-thiazole
CID 141028514
2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
CID 74067620
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
CID 177461796
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
CID 79340971
(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
CID 11074318
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
[3-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 24671230
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323
(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
CID 91864729

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol (CID 22244458) is (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol is Cc1nc(/C=C/CO)cs1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
The InChIKey is UIGVSHFWKRHCSH-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H9NOS/c1-6-8-7(5-10-6)3-2-4-9/h2-3,5,9H,4H2,1H3/b3-2+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol has a molecular weight of 155.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 22244458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).