5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C17H20FN5O2S — CID 67077870

IUPAC5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(N)c(F)c2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H20FN5O2S/c18-12-6-9(3-4-13(12)19)14-7-11(16(26-14)23-17(20)25)15(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8,19H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
InChIKeyITSUJDXRCYJXET-JTQLQIEISA-N
MW377.45 g/mol
LogP2.11
Rot. Bonds4

About 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 67077870) has the molecular formula C17H20FN5O2S and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID67077870
Molecular FormulaC17H20FN5O2S
Molecular Weight377.45 g/mol
Exact Mass377.13
IUPAC Name5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(N)c(F)c2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C17H20FN5O2S/c18-12-6-9(3-4-13(12)19)14-7-11(16(26-14)23-17(20)25)15(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8,19H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
InChIKeyITSUJDXRCYJXET-JTQLQIEISA-N
XLogP2.11
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-[4-fluoro-3-(hydroxymethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077447
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-(3-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 44560523
2-(carbamoylamino)-5-(2,4-dichlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077105
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 67077304
3-(carbamoylamino)-5-(3,4-difluorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 72830255
2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077654
2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68959548
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077942

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 67077870) is 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(N)c(F)c2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is ITSUJDXRCYJXET-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20FN5O2S/c18-12-6-9(3-4-13(12)19)14-7-11(16(26-14)23-17(20)25)15(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8,19H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1.
What are the key properties of 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 67077870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).