2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide

C19H21FN4O2S — CID 143575799

IUPAC2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide
SMILESC=C(F)/C=C\C(=C)NC=O.Cc1nc(N)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C12H13N3OS.C7H8FNO/c1-8-10(17-12(13)15-8)11(16)14-7-9-5-3-2-4-6-9;1-6(8)3-4-7(2)9-5-10/h2-6H,7H2,1H3,(H2,13,15)(H,14,16);3-5H,1-2H2,(H,9,10)/b;4-3-
InChIKeyUVRHIQVAVVBEAJ-QGAMPUOQSA-N
MW388.47 g/mol
LogP3.25
Rot. Bonds7

About 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide

2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide (PubChem CID 143575799) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide.

Molecular Properties

Compound Name2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide
PubChem CID143575799
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide
SMILESC=C(F)/C=C\C(=C)NC=O.Cc1nc(N)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C12H13N3OS.C7H8FNO/c1-8-10(17-12(13)15-8)11(16)14-7-9-5-3-2-4-6-9;1-6(8)3-4-7(2)9-5-10/h2-6H,7H2,1H3,(H2,13,15)(H,14,16);3-5H,1-2H2,(H,9,10)/b;4-3-
InChIKeyUVRHIQVAVVBEAJ-QGAMPUOQSA-N
XLogP3.25
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane
CID 143697957
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91971342
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
N-benzyl-4-methyl-2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 73213268

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide?
The IUPAC name of 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide (CID 143575799) is 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide.
What is the SMILES notation for 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide?
The canonical SMILES for 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide is C=C(F)/C=C\C(=C)NC=O.Cc1nc(N)sc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide?
The InChIKey is UVRHIQVAVVBEAJ-QGAMPUOQSA-N. The full InChI is InChI=1S/C12H13N3OS.C7H8FNO/c1-8-10(17-12(13)15-8)11(16)14-7-9-5-3-2-4-6-9;1-6(8)3-4-7(2)9-5-10/h2-6H,7H2,1H3,(H2,13,15)(H,14,16);3-5H,1-2H2,(H,9,10)/b;4-3-.
What are the key properties of 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide?
2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide has a molecular weight of 388.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide is sourced from PubChem (CID 143575799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).