1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea

C14H14N4OS2 — CID 71808177

IUPAC1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2cccs2)n1)Nc1cccs1
InChIInChI=1S/C14H14N4OS2/c19-14(16-13-4-2-10-21-13)15-6-8-18-7-5-11(17-18)12-3-1-9-20-12/h1-5,7,9-10H,6,8H2,(H2,15,16,19)
InChIKeyHQKGJFJTGXNUKI-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.49
Rot. Bonds5

About 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea

1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea (PubChem CID 71808177) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
PubChem CID71808177
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2cccs2)n1)Nc1cccs1
InChIInChI=1S/C14H14N4OS2/c19-14(16-13-4-2-10-21-13)15-6-8-18-7-5-11(17-18)12-3-1-9-20-12/h1-5,7,9-10H,6,8H2,(H2,15,16,19)
InChIKeyHQKGJFJTGXNUKI-UHFFFAOYSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 90588201
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
CID 121139809
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71808092
methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 122244565
(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97417285
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 71808130
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
CID 138056651
1-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylurea
CID 163347249

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea (CID 71808177) is 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea is O=C(NCCn1ccc(-c2cccs2)n1)Nc1cccs1.
What is the InChIKey of 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is HQKGJFJTGXNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c19-14(16-13-4-2-10-21-13)15-6-8-18-7-5-11(17-18)12-3-1-9-20-12/h1-5,7,9-10H,6,8H2,(H2,15,16,19).
What are the key properties of 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 318.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 71808177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).