N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide

C18H16F2N4O3S — CID 154668365

IUPACN-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(OC(F)F)c3)cs2)c1
InChIInChI=1S/C18H16F2N4O3S/c1-24-6-5-12(9-24)16(26)21-8-15(25)23-18-22-14(10-28-18)11-3-2-4-13(7-11)27-17(19)20/h2-7,9-10,17H,8H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyXOFJVULHUZTFDT-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.12
Rot. Bonds7

About N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide

N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide (PubChem CID 154668365) has the molecular formula C18H16F2N4O3S and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
PubChem CID154668365
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC NameN-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(OC(F)F)c3)cs2)c1
InChIInChI=1S/C18H16F2N4O3S/c1-24-6-5-12(9-24)16(26)21-8-15(25)23-18-22-14(10-28-18)11-3-2-4-13(7-11)27-17(19)20/h2-7,9-10,17H,8H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyXOFJVULHUZTFDT-UHFFFAOYSA-N
XLogP3.12
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
CID 24951610
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
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CID 25232166
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 44480618
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332270
(5R)-5-[2-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58042200
N-[3-(dimethylamino)propyl]-2-[[4-[[3-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-5-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 23729592
N-[3-(dimethylamino)propyl]-5-isopentyl-2-[[4-[[4-[(3-methoxybenzenecarboximidoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]thiazole-4-carboxamide
CID 23730021
N-[3-(dimethylamino)propyl]-2-[[4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-5-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 23730256
6-[[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 46943027
3-fluoro-5-methoxy-N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 25232164

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide (CID 154668365) is N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(OC(F)F)c3)cs2)c1.
What is the InChIKey of N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is XOFJVULHUZTFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S/c1-24-6-5-12(9-24)16(26)21-8-15(25)23-18-22-14(10-28-18)11-3-2-4-13(7-11)27-17(19)20/h2-7,9-10,17H,8H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide?
N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 154668365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).