(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide

C6H5ClN2OS — CID 55267141

IUPAC(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cnc(Cl)s1
InChIInChI=1S/C6H5ClN2OS/c7-6-9-3-4(11-6)1-2-5(8)10/h1-3H,(H2,8,10)/b2-1+
InChIKeyWDYAAAPLPLKIOQ-OWOJBTEDSA-N
MW188.64 g/mol
LogP1.29
Rot. Bonds2

About (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide

(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 55267141) has the molecular formula C6H5ClN2OS and a molecular weight of 188.64 g/mol. Its IUPAC name is (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID55267141
Molecular FormulaC6H5ClN2OS
Molecular Weight188.64 g/mol
Exact Mass187.98
IUPAC Name(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cnc(Cl)s1
InChIInChI=1S/C6H5ClN2OS/c7-6-9-3-4(11-6)1-2-5(8)10/h1-3H,(H2,8,10)/b2-1+
InChIKeyWDYAAAPLPLKIOQ-OWOJBTEDSA-N
XLogP1.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.64
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enoic acid
CID 68877521
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide
CID 170876902
3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
CID 169481565
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide
CID 169481959
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
CID 169481566
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 43236333
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(2-chloro-1,3-thiazol-5-yl)methyl carbamate
CID 126697211
(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide
CID 55268080
2-[(2-chloro-1,3-thiazol-5-yl)methylidene]propanedinitrile
CID 1479766

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide (CID 55267141) is (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide is NC(=O)/C=C/c1cnc(Cl)s1.
What is the InChIKey of (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is WDYAAAPLPLKIOQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H5ClN2OS/c7-6-9-3-4(11-6)1-2-5(8)10/h1-3H,(H2,8,10)/b2-1+.
What are the key properties of (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide?
(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 188.64 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 55267141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).