1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea

C14H17N5O2S — CID 128967383

IUPAC1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)NC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H17N5O2S/c20-13-12(15-4-5-16-13)19-6-1-2-10(8-19)17-14(21)18-11-3-7-22-9-11/h3-5,7,9-10H,1-2,6,8H2,(H,16,20)(H2,17,18,21)
InChIKeyTWLHIHUHTKVBPA-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea

1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea (PubChem CID 128967383) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
PubChem CID128967383
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)NC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H17N5O2S/c20-13-12(15-4-5-16-13)19-6-1-2-10(8-19)17-14(21)18-11-3-7-22-9-11/h3-5,7,9-10H,1-2,6,8H2,(H,16,20)(H2,17,18,21)
InChIKeyTWLHIHUHTKVBPA-UHFFFAOYSA-N
XLogP1.62
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 126777315
1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
CID 167948895
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
3-(furan-3-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129339480
N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167764107
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea (CID 128967383) is 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea is O=C(Nc1ccsc1)NC1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
The InChIKey is TWLHIHUHTKVBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-13-12(15-4-5-16-13)19-6-1-2-10(8-19)17-14(21)18-11-3-7-22-9-11/h3-5,7,9-10H,1-2,6,8H2,(H,16,20)(H2,17,18,21).
What are the key properties of 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea has a molecular weight of 319.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea is sourced from PubChem (CID 128967383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).