1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea

C12H16N2OS — CID 54541178

IUPAC1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(N(CC2CC2)C(N)=S)cc1
InChIInChI=1S/C12H16N2OS/c1-15-11-6-4-10(5-7-11)14(12(13)16)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H2,13,16)
InChIKeyZDHKFMGKDDLMGN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.16
Rot. Bonds4

About 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea

1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea (PubChem CID 54541178) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea
PubChem CID54541178
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(N(CC2CC2)C(N)=S)cc1
InChIInChI=1S/C12H16N2OS/c1-15-11-6-4-10(5-7-11)14(12(13)16)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H2,13,16)
InChIKeyZDHKFMGKDDLMGN-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroprop-2-enyl)-1-(4-methoxyphenyl)thiourea
CID 15279831
3-(N-carbamothioyl-4-methoxyanilino)propanoic acid
CID 119090131
N-(cyclopropylmethyl)-2-(3-fluoro-5-methylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166372254
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 64522569
N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 172557272
ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate
CID 10589826
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306773
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea
CID 19693287
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
CID 154621342
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea (CID 54541178) is 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea is COc1ccc(N(CC2CC2)C(N)=S)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea?
The InChIKey is ZDHKFMGKDDLMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-15-11-6-4-10(5-7-11)14(12(13)16)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H2,13,16).
What are the key properties of 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea?
1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea has a molecular weight of 236.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 54541178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).