1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea

C10H16N2OS — CID 53016506

IUPAC1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
SMILESCC(C)NC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-8(2)11-10(13)12(3)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,11,13)
InChIKeyZXIJHPVNEFLQOY-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.30
Rot. Bonds3

About 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea

1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea (PubChem CID 53016506) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
PubChem CID53016506
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
SMILESCC(C)NC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-8(2)11-10(13)12(3)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,11,13)
InChIKeyZXIJHPVNEFLQOY-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
(2R)-4-hydroxy-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 107826201
(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566204
2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197550
methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913745
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
3-methoxy-4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 103158614
1-[(4-aminophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 43458218
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43528496
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466825

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea (CID 53016506) is 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea is CC(C)NC(=O)N(C)Cc1ccsc1.
What is the InChIKey of 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is ZXIJHPVNEFLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)11-10(13)12(3)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,11,13).
What are the key properties of 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 212.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 53016506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).