N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide

C16H16ClN3O2S — CID 46411211

IUPACN-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)/N=c1\sccn1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2S/c17-13-4-2-1-3-12(13)10-20-7-8-23-16(20)19-14(21)9-18-15(22)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,22)/b19-16-
InChIKeyWFUKEWDPZGFQQP-MNDPQUGUSA-N
MW349.84 g/mol
LogP2.20
Rot. Bonds5

About N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 46411211) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID46411211
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)/N=c1\sccn1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2S/c17-13-4-2-1-3-12(13)10-20-7-8-23-16(20)19-14(21)9-18-15(22)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,22)/b19-16-
InChIKeyWFUKEWDPZGFQQP-MNDPQUGUSA-N
XLogP2.20
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide 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

(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea
CID 42913202
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(2S,5R)-5-(aminomethyl)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]oxolane-2-carboxamide
CID 120796692
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 16525232
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718292
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2517202
methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate
CID 9054250
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203125
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2497795
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 60599665
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2686917
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2686905

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 46411211) is N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)/N=c1\sccn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is WFUKEWDPZGFQQP-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-13-4-2-1-3-12(13)10-20-7-8-23-16(20)19-14(21)9-18-15(22)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,22)/b19-16-.
What are the key properties of N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 349.84 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46411211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).