N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

C17H13FN4O2S — CID 16948194

IUPACN-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C17H13FN4O2S/c18-11-6-8-13(9-7-11)19-15(23)14-10-25-17(21-14)22-16(24)20-12-4-2-1-3-5-12/h1-10H,(H,19,23)(H2,20,21,22,24)
InChIKeyUBSYATYDUDCSSL-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.18
Rot. Bonds4

About N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 16948194) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
PubChem CID16948194
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC NameN-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C17H13FN4O2S/c18-11-6-8-13(9-7-11)19-15(23)14-10-25-17(21-14)22-16(24)20-12-4-2-1-3-5-12/h1-10H,(H,19,23)(H2,20,21,22,24)
InChIKeyUBSYATYDUDCSSL-UHFFFAOYSA-N
XLogP4.18
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (CID 16948194) is N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UBSYATYDUDCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c18-11-6-8-13(9-7-11)19-15(23)14-10-25-17(21-14)22-16(24)20-12-4-2-1-3-5-12/h1-10H,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).