(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide

C16H19FN4O3S2 — CID 87095417

IUPAC(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1csc(NC(=O)NCc2ccc(F)s2)n1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C16H19FN4O3S2/c1-21(14(22)12-3-2-6-24-12)8-10-9-25-16(19-10)20-15(23)18-7-11-4-5-13(17)26-11/h4-5,9,12H,2-3,6-8H2,1H3,(H2,18,19,20,23)/t12-/m1/s1
InChIKeyDDPOGLFBEGFBFK-GFCCVEGCSA-N
MW398.49 g/mol
LogP2.80
Rot. Bonds6

About (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide

(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide (PubChem CID 87095417) has the molecular formula C16H19FN4O3S2 and a molecular weight of 398.49 g/mol. Its IUPAC name is (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
PubChem CID87095417
Molecular FormulaC16H19FN4O3S2
Molecular Weight398.49 g/mol
Exact Mass398.09
IUPAC Name(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1csc(NC(=O)NCc2ccc(F)s2)n1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C16H19FN4O3S2/c1-21(14(22)12-3-2-6-24-12)8-10-9-25-16(19-10)20-15(23)18-7-11-4-5-13(17)26-11/h4-5,9,12H,2-3,6-8H2,1H3,(H2,18,19,20,23)/t12-/m1/s1
InChIKeyDDPOGLFBEGFBFK-GFCCVEGCSA-N
XLogP2.80
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90950496
N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethyloxane-4-carboxamide
CID 87095163
(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
CID 66662835
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 87095634
N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
CID 87095712
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
CID 136540282
(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
CID 103872749
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 25051873
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide (CID 87095417) is (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide is CN(Cc1csc(NC(=O)NCc2ccc(F)s2)n1)C(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is DDPOGLFBEGFBFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN4O3S2/c1-21(14(22)12-3-2-6-24-12)8-10-9-25-16(19-10)20-15(23)18-7-11-4-5-13(17)26-11/h4-5,9,12H,2-3,6-8H2,1H3,(H2,18,19,20,23)/t12-/m1/s1.
What are the key properties of (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide?
(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 87095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).