N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide

C19H23FN4O4S — CID 91498125

IUPACN-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide
SMILESCOCC1CCC(C(=O)NCc2csc(NC(=O)NCc3cccc(F)c3)n2)O1
InChIInChI=1S/C19H23FN4O4S/c1-27-10-15-5-6-16(28-15)17(25)21-9-14-11-29-19(23-14)24-18(26)22-8-12-3-2-4-13(20)7-12/h2-4,7,11,15-16H,5-6,8-10H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyTXNXBDSCWBYOQQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.41
Rot. Bonds8

About N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide (PubChem CID 91498125) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide
PubChem CID91498125
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC NameN-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide
SMILESCOCC1CCC(C(=O)NCc2csc(NC(=O)NCc3cccc(F)c3)n2)O1
InChIInChI=1S/C19H23FN4O4S/c1-27-10-15-5-6-16(28-15)17(25)21-9-14-11-29-19(23-14)24-18(26)22-8-12-3-2-4-13(20)7-12/h2-4,7,11,15-16H,5-6,8-10H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyTXNXBDSCWBYOQQ-UHFFFAOYSA-N
XLogP2.41
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-(methoxymethyl)oxolane-2-carboxamide
CID 91039775
N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide
CID 91497274
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
1-[4-(cyclopentylsulfonylmethyl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 25207114
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 87095634
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 87065383
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]propanamide
CID 91212303
1-[(3-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]urea
CID 25205672
6-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-methylpyridazine-4-carboxamide
CID 86661325
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 25206797
1-[(3-fluorophenyl)methyl]-3-[4-[[[3-(2-hydroxyethyl)-1,2-oxazol-4-yl]methyl-methylamino]methyl]-1,3-thiazol-2-yl]urea
CID 87755331

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide?
The IUPAC name of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide (CID 91498125) is N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide is COCC1CCC(C(=O)NCc2csc(NC(=O)NCc3cccc(F)c3)n2)O1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide?
The InChIKey is TXNXBDSCWBYOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c1-27-10-15-5-6-16(28-15)17(25)21-9-14-11-29-19(23-14)24-18(26)22-8-12-3-2-4-13(20)7-12/h2-4,7,11,15-16H,5-6,8-10H2,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide?
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 91498125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).