1-methyl-1-propan-2-yl-3-thiophen-2-ylurea

C9H14N2OS — CID 131131659

IUPAC1-methyl-1-propan-2-yl-3-thiophen-2-ylurea
SMILESCC(C)N(C)C(=O)Nc1cccs1
InChIInChI=1S/C9H14N2OS/c1-7(2)11(3)9(12)10-8-5-4-6-13-8/h4-7H,1-3H3,(H,10,12)
InChIKeyUUSJUGHZWYRTBA-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.62
Rot. Bonds2

About 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea

1-methyl-1-propan-2-yl-3-thiophen-2-ylurea (PubChem CID 131131659) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-propan-2-yl-3-thiophen-2-ylurea
PubChem CID131131659
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-methyl-1-propan-2-yl-3-thiophen-2-ylurea
SMILESCC(C)N(C)C(=O)Nc1cccs1
InChIInChI=1S/C9H14N2OS/c1-7(2)11(3)9(12)10-8-5-4-6-13-8/h4-7H,1-3H3,(H,10,12)
InChIKeyUUSJUGHZWYRTBA-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
thiophen-2-ylcarbamic acid
CID 19432670
N-thiophen-2-ylcarbamate
CID 19956166
N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
CID 108889107
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-(1-hydroxypropan-2-yl)-3-thiophen-2-ylurea
CID 131154153
sodium N-thiophen-2-ylcarbamate
CID 70473734
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
N-methyl-N-propan-2-yl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408875
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea
CID 126813877
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea?
The IUPAC name of 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea (CID 131131659) is 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea.
What is the SMILES notation for 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea?
The canonical SMILES for 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea is CC(C)N(C)C(=O)Nc1cccs1.
What is the InChIKey of 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea?
The InChIKey is UUSJUGHZWYRTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(2)11(3)9(12)10-8-5-4-6-13-8/h4-7H,1-3H3,(H,10,12).
What are the key properties of 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea?
1-methyl-1-propan-2-yl-3-thiophen-2-ylurea has a molecular weight of 198.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propan-2-yl-3-thiophen-2-ylurea is sourced from PubChem (CID 131131659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).