N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide

C16H19FN4O3S2 — CID 90950496

IUPACN-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(F)s1)Nc1nc(CCNC(=O)C2CCCO2)cs1
InChIInChI=1S/C16H19FN4O3S2/c17-13-4-3-11(26-13)8-19-15(23)21-16-20-10(9-25-16)5-6-18-14(22)12-2-1-7-24-12/h3-4,9,12H,1-2,5-8H2,(H,18,22)(H2,19,20,21,23)
InChIKeyRQCKOPNNFLQZDK-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.50
Rot. Bonds7

About N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide

N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide (PubChem CID 90950496) has the molecular formula C16H19FN4O3S2 and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
PubChem CID90950496
Molecular FormulaC16H19FN4O3S2
Molecular Weight398.49 g/mol
Exact Mass398.09
IUPAC NameN-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(F)s1)Nc1nc(CCNC(=O)C2CCCO2)cs1
InChIInChI=1S/C16H19FN4O3S2/c17-13-4-3-11(26-13)8-19-15(23)21-16-20-10(9-25-16)5-6-18-14(22)12-2-1-7-24-12/h3-4,9,12H,1-2,5-8H2,(H,18,22)(H2,19,20,21,23)
InChIKeyRQCKOPNNFLQZDK-UHFFFAOYSA-N
XLogP2.50
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 87095417
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide
CID 91497274
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036
N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90818494
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 124737179
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide (CID 90950496) is N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide is O=C(NCc1ccc(F)s1)Nc1nc(CCNC(=O)C2CCCO2)cs1.
What is the InChIKey of N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is RQCKOPNNFLQZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S2/c17-13-4-3-11(26-13)8-19-15(23)21-16-20-10(9-25-16)5-6-18-14(22)12-2-1-7-24-12/h3-4,9,12H,1-2,5-8H2,(H,18,22)(H2,19,20,21,23).
What are the key properties of N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 90950496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).