N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C17H16N4O3S — CID 134054764

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-14(21-16(25-10)13-3-2-8-24-13)15(22)19-9-11-4-6-12(7-5-11)20-17(18)23/h2-8H,9H2,1H3,(H,19,22)(H3,18,20,23)
InChIKeyHESSBKOHHJNJSB-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.13
Rot. Bonds5

About N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 134054764) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID134054764
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-14(21-16(25-10)13-3-2-8-24-13)15(22)19-9-11-4-6-12(7-5-11)20-17(18)23/h2-8H,9H2,1H3,(H,19,22)(H3,18,20,23)
InChIKeyHESSBKOHHJNJSB-UHFFFAOYSA-N
XLogP3.13
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
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N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
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CID 111597345
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CID 107299887
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2-(furan-2-yl)-5-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 38430945
2-(furan-2-yl)-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 115630153
2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134018768
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 134054764) is N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HESSBKOHHJNJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-14(21-16(25-10)13-3-2-8-24-13)15(22)19-9-11-4-6-12(7-5-11)20-17(18)23/h2-8H,9H2,1H3,(H,19,22)(H3,18,20,23).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134054764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).