N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride

C14H11Cl2N5O4S3 — CID 159761930

IUPACN-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride
SMILESCc1nnsc1C(=O)Cl.Cc1nnsc1C(=O)NS(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O3S2.C4H3ClN2OS/c1-6-9(18-14-12-6)10(15)13-19(16)17-8-4-2-7(11)3-5-8;1-2-3(4(5)8)9-7-6-2/h2-5H,1H3,(H,13,15);1H3
InChIKeyNEZQROFGWICDGS-UHFFFAOYSA-N
MW480.38 g/mol
LogP3.11
Rot. Bonds5

About N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride

N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride (PubChem CID 159761930) has the molecular formula C14H11Cl2N5O4S3 and a molecular weight of 480.38 g/mol. Its IUPAC name is N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride.

Molecular Properties

Compound NameN-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride
PubChem CID159761930
Molecular FormulaC14H11Cl2N5O4S3
Molecular Weight480.38 g/mol
Exact Mass478.94
IUPAC NameN-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride
SMILESCc1nnsc1C(=O)Cl.Cc1nnsc1C(=O)NS(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O3S2.C4H3ClN2OS/c1-6-9(18-14-12-6)10(15)13-19(16)17-8-4-2-7(11)3-5-8;1-2-3(4(5)8)9-7-6-2/h2-5H,1H3,(H,13,15);1H3
InChIKeyNEZQROFGWICDGS-UHFFFAOYSA-N
XLogP3.11
TPSA124.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
CID 9085295
[2-(4-chlorophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576813
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol
CID 174975485
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride?
The IUPAC name of N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride (CID 159761930) is N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride.
What is the SMILES notation for N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride?
The canonical SMILES for N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride is Cc1nnsc1C(=O)Cl.Cc1nnsc1C(=O)NS(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride?
The InChIKey is NEZQROFGWICDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3S2.C4H3ClN2OS/c1-6-9(18-14-12-6)10(15)13-19(16)17-8-4-2-7(11)3-5-8;1-2-3(4(5)8)9-7-6-2/h2-5H,1H3,(H,13,15);1H3.
What are the key properties of N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride?
N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride has a molecular weight of 480.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenoxy)sulfinyl-4-methylthiadiazole-5-carboxamide;4-methylthiadiazole-5-carbonyl chloride is sourced from PubChem (CID 159761930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).