(E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine

C9H14N2S — CID 131237769

IUPAC(E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine
SMILESCCc1nc(/C=C/C(C)N)cs1
InChIInChI=1S/C9H14N2S/c1-3-9-11-8(6-12-9)5-4-7(2)10/h4-7H,3,10H2,1-2H3/b5-4+
InChIKeyFVODXDLCRPDRET-SNAWJCMRSA-N
MW182.29 g/mol
LogP2.07
Rot. Bonds3

About (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine

(E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine (PubChem CID 131237769) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine
PubChem CID131237769
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name(E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine
SMILESCCc1nc(/C=C/C(C)N)cs1
InChIInChI=1S/C9H14N2S/c1-3-9-11-8(6-12-9)5-4-7(2)10/h4-7H,3,10H2,1-2H3/b5-4+
InChIKeyFVODXDLCRPDRET-SNAWJCMRSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 131233241
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methyl (2E,4R,5S,6E)-7-[2-(2-ethyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-3,5-dimethoxy-4-methylhepta-2,6-dienoate
CID 10835304
2-ethyl-4-(1-iodoethyl)-1,3-thiazole
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2-ethyl-4-methyl-1,3-thiazole
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azane;2-ethyl-4-methyl-1,3-thiazole
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4-[(E)-3-bromobut-1-enyl]-2-tert-butyl-1,3-thiazole
CID 130539557
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
(2-ethyl-1,3-thiazol-4-yl)methanethiol
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(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
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2-(2-ethyl-1,3-thiazol-4-yl)ethanol
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2-pentyl-4-(2-phenylethenyl)-1,3-thiazole
CID 67836933

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine?
The IUPAC name of (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine (CID 131237769) is (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine is CCc1nc(/C=C/C(C)N)cs1.
What is the InChIKey of (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine?
The InChIKey is FVODXDLCRPDRET-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-9-11-8(6-12-9)5-4-7(2)10/h4-7H,3,10H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine?
(E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-ethyl-1,3-thiazol-4-yl)but-3-en-2-amine is sourced from PubChem (CID 131237769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).