N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C19H17FN4O3S — CID 18567656

IUPACN-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C19H17FN4O3S/c1-27-16-9-5-4-8-15(16)23-18(26)24-19-21-12(11-28-19)10-17(25)22-14-7-3-2-6-13(14)20/h2-9,11H,10H2,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyXFCWMUDQVTVZEB-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.12
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567656) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567656
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC NameN-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C19H17FN4O3S/c1-27-16-9-5-4-8-15(16)23-18(26)24-19-21-12(11-28-19)10-17(25)22-14-7-3-2-6-13(14)20/h2-9,11H,10H2,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyXFCWMUDQVTVZEB-UHFFFAOYSA-N
XLogP4.12
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567656) is N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccccc2F)cs1.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is XFCWMUDQVTVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-27-16-9-5-4-8-15(16)23-18(26)24-19-21-12(11-28-19)10-17(25)22-14-7-3-2-6-13(14)20/h2-9,11H,10H2,1H3,(H,22,25)(H2,21,23,24,26).
What are the key properties of N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).