2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide

C15H18N4O2S2 — CID 44560619

IUPAC2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C15H18N4O2S2/c16-15(21)19-14-11(6-12(23-14)9-3-5-22-8-9)13(20)18-10-2-1-4-17-7-10/h3,5-6,8,10,17H,1-2,4,7H2,(H,18,20)(H3,16,19,21)/t10-/m0/s1
InChIKeyPBCBIZJDVCDFNU-JTQLQIEISA-N
MW350.47 g/mol
LogP2.45
Rot. Bonds4

About 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide

2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide (PubChem CID 44560619) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide
PubChem CID44560619
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C15H18N4O2S2/c16-15(21)19-14-11(6-12(23-14)9-3-5-22-8-9)13(20)18-10-2-1-4-17-7-10/h3,5-6,8,10,17H,1-2,4,7H2,(H,18,20)(H3,16,19,21)/t10-/m0/s1
InChIKeyPBCBIZJDVCDFNU-JTQLQIEISA-N
XLogP2.45
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide (CID 44560619) is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide?
The InChIKey is PBCBIZJDVCDFNU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O2S2/c16-15(21)19-14-11(6-12(23-14)9-3-5-22-8-9)13(20)18-10-2-1-4-17-7-10/h3,5-6,8,10,17H,1-2,4,7H2,(H,18,20)(H3,16,19,21)/t10-/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide?
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-thiophen-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 44560619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).