5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide

C17H19FN4O3S — CID 68505945

IUPAC5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(OCc2ccccc2CF)nsc1NC(=O)NCC1CC1
InChIInChI=1S/C17H19FN4O3S/c18-7-11-3-1-2-4-12(11)9-25-15-13(14(19)23)16(26-22-15)21-17(24)20-8-10-5-6-10/h1-4,10H,5-9H2,(H2,19,23)(H2,20,21,24)
InChIKeyUSXZNXWBPJAGSO-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.82
Rot. Bonds8

About 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide

5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide (PubChem CID 68505945) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
PubChem CID68505945
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(OCc2ccccc2CF)nsc1NC(=O)NCC1CC1
InChIInChI=1S/C17H19FN4O3S/c18-7-11-3-1-2-4-12(11)9-25-15-13(14(19)23)16(26-22-15)21-17(24)20-8-10-5-6-10/h1-4,10H,5-9H2,(H2,19,23)(H2,20,21,24)
InChIKeyUSXZNXWBPJAGSO-UHFFFAOYSA-N
XLogP2.82
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(butan-2-ylamino)ethylcarbamoylamino]-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
CID 68507353
3-[[2,5-bis(fluoromethyl)phenyl]methoxy]-5-[3-(cyclopropylamino)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 68509566
5-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-7-ylmethylcarbamoylamino)-3-[(2,5-difluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 68509451
5-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-7-ylmethylcarbamoylamino)-3-[(4-chloro-2,5-difluorophenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 68509194
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54354550
3-[(4-ethyl-2,3-difluorophenyl)methoxy]-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54090381
3-[[3-(cyclopropylcarbamoyl)-2-fluorophenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 171829806
3-[(2,3-difluoro-4-methylphenyl)methoxy]-5-(2-hydroxybutylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54031562
5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10365483
3-[(2,5-dichlorophenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54422898
3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[3-(pyridin-2-ylamino)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 54485579
3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54266523

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide (CID 68505945) is 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide is NC(=O)c1c(OCc2ccccc2CF)nsc1NC(=O)NCC1CC1.
What is the InChIKey of 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide?
The InChIKey is USXZNXWBPJAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c18-7-11-3-1-2-4-12(11)9-25-15-13(14(19)23)16(26-22-15)21-17(24)20-8-10-5-6-10/h1-4,10H,5-9H2,(H2,19,23)(H2,20,21,24).
What are the key properties of 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide?
5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylcarbamoylamino)-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 68505945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).