1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea

C14H22N2O3S — CID 71864463

IUPAC1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCC(C)CC2(C)OCCO2)s1
InChIInChI=1S/C14H22N2O3S/c1-10(8-14(3)18-6-7-19-14)9-15-13(17)16-12-5-4-11(2)20-12/h4-5,10H,6-9H2,1-3H3,(H2,15,16,17)
InChIKeyONFNWCVLEZCTCK-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.97
Rot. Bonds5

About 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea

1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea (PubChem CID 71864463) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
PubChem CID71864463
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCC(C)CC2(C)OCCO2)s1
InChIInChI=1S/C14H22N2O3S/c1-10(8-14(3)18-6-7-19-14)9-15-13(17)16-12-5-4-11(2)20-12/h4-5,10H,6-9H2,1-3H3,(H2,15,16,17)
InChIKeyONFNWCVLEZCTCK-UHFFFAOYSA-N
XLogP2.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
CID 111499032
1-[(1S,2S)-2-methylcyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97091703
1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
CID 117235219
1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
CID 111486708
1-methyl-3-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 97224609
1-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97320658
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(5-methylthiophen-2-yl)urea
CID 111486770
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 71920093
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
CID 71986188
(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 97094670
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
CID 75389671
1-acetyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 97086803

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea (CID 71864463) is 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea is Cc1ccc(NC(=O)NCC(C)CC2(C)OCCO2)s1.
What is the InChIKey of 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea?
The InChIKey is ONFNWCVLEZCTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(8-14(3)18-6-7-19-14)9-15-13(17)16-12-5-4-11(2)20-12/h4-5,10H,6-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea?
1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea has a molecular weight of 298.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 71864463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).