(4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19N3O4S — CID 20590560

IUPAC(4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2sc(Nc3ccccc3)nc2N)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4S/c1-24-13-9-11(10-14(25-2)16(13)26-3)15(23)17-18(20)22-19(27-17)21-12-7-5-4-6-8-12/h4-10H,20H2,1-3H3,(H,21,22)
InChIKeyGVGSPTZEVXRKCB-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.73
Rot. Bonds7

About (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 20590560) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID20590560
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2sc(Nc3ccccc3)nc2N)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4S/c1-24-13-9-11(10-14(25-2)16(13)26-3)15(23)17-18(20)22-19(27-17)21-12-7-5-4-6-8-12/h4-10H,20H2,1-3H3,(H,21,22)
InChIKeyGVGSPTZEVXRKCB-UHFFFAOYSA-N
XLogP3.73
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4-Amino-2-((4-methoxyphenyl)amino)-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399618
(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
[4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl](2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 9911652
[4-Amino-2-[[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-5-thiazolyl](3-methoxyphenyl)methanone
CID 9933545
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
CID 1512476
4-{[4-Amino-5-(3-Methoxybenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 73350412
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
5-[(3,4-Dimethoxyphenyl)carbonyl]-2-N-isopropyl-1,3-thiazole-2,4-diamine
CID 660396
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
CID 398017
(4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512282

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 20590560) is (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2sc(Nc3ccccc3)nc2N)cc(OC)c1OC.
What is the InChIKey of (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GVGSPTZEVXRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-13-9-11(10-14(25-2)16(13)26-3)15(23)17-18(20)22-19(27-17)21-12-7-5-4-6-8-12/h4-10H,20H2,1-3H3,(H,21,22).
What are the key properties of (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 20590560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).