3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide

C18H22F2N4O3S — CID 54354550

IUPAC3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCCc1ccc(COc2nsc(NC(=O)NCC(C)C)c2C(N)=O)c(F)c1F
InChIInChI=1S/C18H22F2N4O3S/c1-4-10-5-6-11(14(20)13(10)19)8-27-16-12(15(21)25)17(28-24-16)23-18(26)22-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,21,25)(H2,22,23,26)
InChIKeyUIEJZRAVLFCIPK-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.44
Rot. Bonds8

About 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide

3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 54354550) has the molecular formula C18H22F2N4O3S and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID54354550
Molecular FormulaC18H22F2N4O3S
Molecular Weight412.46 g/mol
Exact Mass412.14
IUPAC Name3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCCc1ccc(COc2nsc(NC(=O)NCC(C)C)c2C(N)=O)c(F)c1F
InChIInChI=1S/C18H22F2N4O3S/c1-4-10-5-6-11(14(20)13(10)19)8-27-16-12(15(21)25)17(28-24-16)23-18(26)22-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,21,25)(H2,22,23,26)
InChIKeyUIEJZRAVLFCIPK-UHFFFAOYSA-N
XLogP3.44
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54090381
3-[(2,3-difluoro-4-methylphenyl)methoxy]-5-(2-hydroxybutylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54031562
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-[(5-hydroxy-6-piperidin-1-ylhexyl)carbamoylamino]-1,2-thiazole-4-carboxamide
CID 54175886
5-[2-(butan-2-ylamino)ethylcarbamoylamino]-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
CID 68507353
3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54266523
3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18550930
[4-carbamoyl-3-[(2,5-difluoro-4-methylphenyl)methoxy]-1,2-thiazol-5-yl]carbamic acid
CID 18550113
3-[(2,4-dimethylphenyl)methoxy]-5-[(2-hydroxy-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
CID 54140611
5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
CID 68505945
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 141014726
3-[(2-fluoro-4-methylphenyl)methoxy]-5-[(3-hydroxy-2-methylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid
CID 18550546
3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[(3-imidazol-1-yl-2-methylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
CID 54545788

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 54354550) is 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide is CCc1ccc(COc2nsc(NC(=O)NCC(C)C)c2C(N)=O)c(F)c1F.
What is the InChIKey of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is UIEJZRAVLFCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3S/c1-4-10-5-6-11(14(20)13(10)19)8-27-16-12(15(21)25)17(28-24-16)23-18(26)22-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,21,25)(H2,22,23,26).
What are the key properties of 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54354550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).