4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

C14H15N3O2S2 — CID 3240288

IUPAC4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESC=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S
InChIInChI=1S/C14H15N3O2S2/c1-3-8-17-12(15)11(21-14(17)20)13(18)16-9-6-4-5-7-10(9)19-2/h3-7H,1,8,15H2,2H3,(H,16,18)
InChIKeyRREUUUONYCBUAM-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.31
Rot. Bonds5

About 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3240288) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3240288
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESC=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S
InChIInChI=1S/C14H15N3O2S2/c1-3-8-17-12(15)11(21-14(17)20)13(18)16-9-6-4-5-7-10(9)19-2/h3-7H,1,8,15H2,2H3,(H,16,18)
InChIKeyRREUUUONYCBUAM-UHFFFAOYSA-N
XLogP3.31
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-methoxyphenyl)-
CID 7135
2-Ureidoanisole
CID 98753
N-(2-methoxyphenyl)-3,3-dimethyl-2-oxoazetidine-1-carbothioamide
CID 2800763
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
4-Thiazolidinone, 5-(ethoxymethylene)-3-(2-methoxyphenyl)-2-thioxo-
CID 292898
3-(2-Methoxyphenyl)-1,3-thiazolidine-2-carboxamide
CID 606565
5-(2-Methoxy-phenylamino)-3-phenyl-thiazolidine-2,4-dione
CID 649284
4-Amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3571647
1-(2-methoxyphenyl)-5-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone
CID 4600955
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
3-(2-Methoxy-phenyl)-2-thioxo-thiazolidin-4-one
CID 292895
3-(o-Ethoxyphenyl)-rhodanine
CID 98906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3240288) is 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is C=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S.
What is the InChIKey of 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is RREUUUONYCBUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-3-8-17-12(15)11(21-14(17)20)13(18)16-9-6-4-5-7-10(9)19-2/h3-7H,1,8,15H2,2H3,(H,16,18).
What are the key properties of 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3240288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).