N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

C18H14F2N4O2S — CID 16948251

IUPACN-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C18H14F2N4O2S/c19-13-7-4-8-14(20)12(13)9-21-16(25)15-10-27-18(23-15)24-17(26)22-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,25)(H2,22,23,24,26)
InChIKeyCDMPREJTAIOIFG-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.00
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 16948251) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
PubChem CID16948251
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C18H14F2N4O2S/c19-13-7-4-8-14(20)12(13)9-21-16(25)15-10-27-18(23-15)24-17(26)22-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,25)(H2,22,23,24,26)
InChIKeyCDMPREJTAIOIFG-UHFFFAOYSA-N
XLogP4.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (CID 16948251) is N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is CDMPREJTAIOIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c19-13-7-4-8-14(20)12(13)9-21-16(25)15-10-27-18(23-15)24-17(26)22-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).