1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea

C14H14N6O2S — CID 71791001

IUPAC1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O
InChIInChI=1S/C14H14N6O2S/c1-19-14(22)20(18-17-19)11-6-4-10(5-7-11)16-13(21)15-9-12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,15,16,21)
InChIKeyICGQFBJPYNBGPK-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea

1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71791001) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71791001
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O
InChIInChI=1S/C14H14N6O2S/c1-19-14(22)20(18-17-19)11-6-4-10(5-7-11)16-13(21)15-9-12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,15,16,21)
InChIKeyICGQFBJPYNBGPK-UHFFFAOYSA-N
XLogP1.35
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea
CID 71791003
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 60545598
2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
CID 71790973
1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 129470856
1-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 51082037
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 52732394
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
4-methyl-2-(4-methylphenyl)-3,5-dioxo-N-(thiophen-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 22578664
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47040725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea (CID 71791001) is 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea is Cn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O.
What is the InChIKey of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ICGQFBJPYNBGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-19-14(22)20(18-17-19)11-6-4-10(5-7-11)16-13(21)15-9-12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,15,16,21).
What are the key properties of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 330.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71791001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).