N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide

C18H16N4O3S — CID 59798026

IUPACN-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O
InChIInChI=1S/C18H16N4O3S/c1-11(23)20-16(19)15-17(24)22-26-18(15)21-12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-10,21H,1H3,(H,22,24)(H2,19,20,23)
InChIKeyHMTVRGOTWXNKAX-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.22
Rot. Bonds5

About N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide

N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide (PubChem CID 59798026) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide
PubChem CID59798026
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O
InChIInChI=1S/C18H16N4O3S/c1-11(23)20-16(19)15-17(24)22-26-18(15)21-12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-10,21H,1H3,(H,22,24)(H2,19,20,23)
InChIKeyHMTVRGOTWXNKAX-UHFFFAOYSA-N
XLogP3.22
TPSA109.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 59797922
N'-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 68676408
5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59862544
3-oxo-N'-(oxolan-2-ylmethyl)-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 59135043
3-oxo-N'-propan-2-yl-5-(4-pyrimidin-5-yloxyanilino)-1,2-thiazole-4-carboximidamide
CID 59798233
5-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797967
5-(3-fluoro-4-phenoxyanilino)-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide
CID 59797956
5-[4-(2-chloro-4-fluorophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797946
N'-(cyclohexylmethyl)-5-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-oxo-1,2-thiazole-4-carboximidamide
CID 59798025
5-[3-chloro-4-(2,3-dichlorophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59135046
5-[4-(2,5-dichlorophenoxy)anilino]-3-oxo-N'-[2-(3-oxopiperazin-1-yl)ethyl]-1,2-thiazole-4-carboximidamide
CID 11613319
5-[4-(2,3-dihydro-1H-indole-3-carbonyl)anilino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide
CID 69315071

Frequently Asked Questions

What is the IUPAC name of N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide?
The IUPAC name of N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide (CID 59798026) is N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide.
What is the SMILES notation for N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide?
The canonical SMILES for N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide is CC(=O)/N=C(\N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O.
What is the InChIKey of N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide?
The InChIKey is HMTVRGOTWXNKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11(23)20-16(19)15-17(24)22-26-18(15)21-12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-10,21H,1H3,(H,22,24)(H2,19,20,23).
What are the key properties of N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide?
N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide has a molecular weight of 368.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide is sourced from PubChem (CID 59798026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).