[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

C15H17N3O2S2 — CID 891289

IUPAC[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1
InChIInChI=1S/C15H17N3O2S2/c1-10-2-4-11(5-3-10)18-13(16)12(22-15(18)21)14(19)17-6-8-20-9-7-17/h2-5H,6-9,16H2,1H3
InChIKeyDYGKDHWVWSAGOQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.63
Rot. Bonds2

About [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 891289) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID891289
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1
InChIInChI=1S/C15H17N3O2S2/c1-10-2-4-11(5-3-10)18-13(16)12(22-15(18)21)14(19)17-6-8-20-9-7-17/h2-5H,6-9,16H2,1H3
InChIKeyDYGKDHWVWSAGOQ-UHFFFAOYSA-N
XLogP2.63
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Morpholine, 4-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-
CID 866380
Piperidine, 1-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-
CID 866378
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]butanamide
CID 851459
1-(4-Methylphenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9859937
Piperidine, 1-((4-amino-2,3-dihydro-3-(4-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-
CID 2187510
Morpholine, 4-((4-amino-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-
CID 3044319
3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752653
4-Amino-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 660533
[4-Amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 889983
4-amino-N-ethyl-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 1545965

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (CID 891289) is [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1.
What is the InChIKey of [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is DYGKDHWVWSAGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-10-2-4-11(5-3-10)18-13(16)12(22-15(18)21)14(19)17-6-8-20-9-7-17/h2-5H,6-9,16H2,1H3.
What are the key properties of [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 335.45 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 891289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).