4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C11H10ClN3O2S2 — CID 3239676

IUPAC4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1-n1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C11H10ClN3O2S2/c1-17-7-3-2-5(12)4-6(7)15-9(13)8(10(14)16)19-11(15)18/h2-4H,13H2,1H3,(H2,14,16)
InChIKeyONOCJCOSMAGQNK-UHFFFAOYSA-N
MW315.81 g/mol
LogP2.61
Rot. Bonds3

About 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3239676) has the molecular formula C11H10ClN3O2S2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3239676
Molecular FormulaC11H10ClN3O2S2
Molecular Weight315.81 g/mol
Exact Mass314.99
IUPAC Name4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1-n1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C11H10ClN3O2S2/c1-17-7-3-2-5(12)4-6(7)15-9(13)8(10(14)16)19-11(15)18/h2-4H,13H2,1H3,(H2,14,16)
InChIKeyONOCJCOSMAGQNK-UHFFFAOYSA-N
XLogP2.61
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)thiourea
CID 2732660
4-Amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3571647
3-allyl-4-amino-N-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3240288
4-Amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 4278231
Methyl 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate
CID 5062043
N-butyl-2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetamide
CID 135519493
N,N-diallyl-N'-(5-chloro-2-methoxyphenyl)thiourea
CID 970986
3-(5-Chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one
CID 1374506
Ethyl 4-amino-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
CID 628238
N-(5-Chloro-2-methoxyphenyl)acetamide
CID 346203
1-(5-Chloro-2-methoxyphenyl)-3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine
CID 135401683
N-(5-chloro-2-methoxyphenyl)-1-pyrrolidinecarbothioamide
CID 2954604

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3239676) is 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is COc1ccc(Cl)cc1-n1c(N)c(C(N)=O)sc1=S.
What is the InChIKey of 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is ONOCJCOSMAGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S2/c1-17-7-3-2-5(12)4-6(7)15-9(13)8(10(14)16)19-11(15)18/h2-4H,13H2,1H3,(H2,14,16).
What are the key properties of 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 315.81 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3239676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).