(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

C18H19N3O3S — CID 22300964

IUPAC(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1nc(NC(=O)/C=C\c2ccccc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C18H19N3O3S/c1-13-16(17(23)21-9-11-24-12-10-21)25-18(19-13)20-15(22)8-7-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,20,22)/b8-7-
InChIKeyBBECJODDHDKTGH-FPLPWBNLSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds4

About (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 22300964) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID22300964
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1nc(NC(=O)/C=C\c2ccccc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C18H19N3O3S/c1-13-16(17(23)21-9-11-24-12-10-21)25-18(19-13)20-15(22)8-7-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,20,22)/b8-7-
InChIKeyBBECJODDHDKTGH-FPLPWBNLSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-phenylprop-2-enoylamino)-1,3-thiazole-5-carboxylic acid
CID 78414592
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 1308273
N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 509910
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 6116402
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810
(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 730245
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 844544
(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 17205470
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
(E)-N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108749924
1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897009
methyl 2-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55538781

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (CID 22300964) is (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is Cc1nc(NC(=O)/C=C\c2ccccc2)sc1C(=O)N1CCOCC1.
What is the InChIKey of (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is BBECJODDHDKTGH-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-16(17(23)21-9-11-24-12-10-21)25-18(19-13)20-15(22)8-7-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,20,22)/b8-7-.
What are the key properties of (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 357.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 22300964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).