N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C18H16F2N4O2S — CID 59580040

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C18H16F2N4O2S/c1-2-13-14(27-17(24-13)15-21-7-4-8-22-15)16(25)23-10-11-5-3-6-12(9-11)26-18(19)20/h3-9,18H,2,10H2,1H3,(H,23,25)
InChIKeyOIVUHJCQGSOSSB-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.69
Rot. Bonds7

About N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59580040) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59580040
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C18H16F2N4O2S/c1-2-13-14(27-17(24-13)15-21-7-4-8-22-15)16(25)23-10-11-5-3-6-12(9-11)26-18(19)20/h3-9,18H,2,10H2,1H3,(H,23,25)
InChIKeyOIVUHJCQGSOSSB-UHFFFAOYSA-N
XLogP3.69
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579983
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570009
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154819196
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154567007
4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155508603
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
CID 142764991
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
3-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 46081913
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59580040) is N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OIVUHJCQGSOSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c1-2-13-14(27-17(24-13)15-21-7-4-8-22-15)16(25)23-10-11-5-3-6-12(9-11)26-18(19)20/h3-9,18H,2,10H2,1H3,(H,23,25).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59580040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).