5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

C18H17N5O3S — CID 11740674

IUPAC5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCc1ccccc1
InChIInChI=1S/C18H17N5O3S/c19-15(24)14-16(26-11-13-7-4-8-20-9-13)23-27-17(14)22-18(25)21-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,19,24)(H2,21,22,25)
InChIKeyXVUXIRBPJPRZBX-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.54
Rot. Bonds7

About 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (PubChem CID 11740674) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
PubChem CID11740674
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCc1ccccc1
InChIInChI=1S/C18H17N5O3S/c19-15(24)14-16(26-11-13-7-4-8-20-9-13)23-27-17(14)22-18(25)21-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,19,24)(H2,21,22,25)
InChIKeyXVUXIRBPJPRZBX-UHFFFAOYSA-N
XLogP2.54
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10365483
5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 66679258
5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10094351
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863

Frequently Asked Questions

What is the IUPAC name of 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (CID 11740674) is 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCc1ccccc1.
What is the InChIKey of 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The InChIKey is XVUXIRBPJPRZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c19-15(24)14-16(26-11-13-7-4-8-20-9-13)23-27-17(14)22-18(25)21-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,19,24)(H2,21,22,25).
What are the key properties of 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 11740674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).