(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide

C15H12ClN3OS — CID 170876902

IUPAC(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide
SMILESNC(=O)/C=C\c1cn(Cc2cnc(Cl)s2)c2ccccc12
InChIInChI=1S/C15H12ClN3OS/c16-15-18-7-11(21-15)9-19-8-10(5-6-14(17)20)12-3-1-2-4-13(12)19/h1-8H,9H2,(H2,17,20)/b6-5-
InChIKeyFJMPBZIJSVGGJU-WAYWQWQTSA-N
MW317.80 g/mol
LogP3.30
Rot. Bonds4

About (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide

(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide (PubChem CID 170876902) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide
PubChem CID170876902
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide
SMILESNC(=O)/C=C\c1cn(Cc2cnc(Cl)s2)c2ccccc12
InChIInChI=1S/C15H12ClN3OS/c16-15-18-7-11(21-15)9-19-8-10(5-6-14(17)20)12-3-1-2-4-13(12)19/h1-8H,9H2,(H2,17,20)/b6-5-
InChIKeyFJMPBZIJSVGGJU-WAYWQWQTSA-N
XLogP3.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol
CID 170892903
4-(1-benzylindol-3-yl)but-3-en-2-one
CID 2775547
5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
CID 79764556
(E)-3-[1-[(4-phenylphenyl)methyl]indol-3-yl]prop-2-enoic acid
CID 18799537
(E)-3-(2-chloro-1,3-thiazol-5-yl)prop-2-enamide
CID 55267141
3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880619
5-(1-benzylindol-3-yl)-2,3-diethylpenta-2,4-dienoic acid
CID 54180226
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
(2Z,5E)-6-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
CID 73334597
[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 6045592

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide (CID 170876902) is (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide is NC(=O)/C=C\c1cn(Cc2cnc(Cl)s2)c2ccccc12.
What is the InChIKey of (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide?
The InChIKey is FJMPBZIJSVGGJU-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-15-18-7-11(21-15)9-19-8-10(5-6-14(17)20)12-3-1-2-4-13(12)19/h1-8H,9H2,(H2,17,20)/b6-5-.
What are the key properties of (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide?
(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide has a molecular weight of 317.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide is sourced from PubChem (CID 170876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).