1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea

C10H18N4OS — CID 116510318

IUPAC1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NC(C)c1ncc[nH]1
InChIInChI=1S/C10H18N4OS/c1-8(9-11-5-6-12-9)14-10(16)13-4-3-7-15-2/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)(H2,13,14,16)
InChIKeyWTZPTFAOZXSCPJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.97
Rot. Bonds6

About 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea

1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea (PubChem CID 116510318) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea
PubChem CID116510318
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NC(C)c1ncc[nH]1
InChIInChI=1S/C10H18N4OS/c1-8(9-11-5-6-12-9)14-10(16)13-4-3-7-15-2/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)(H2,13,14,16)
InChIKeyWTZPTFAOZXSCPJ-UHFFFAOYSA-N
XLogP0.97
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea
CID 116510320
1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 53405687
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 19583934
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594
1-(3-methoxypropyl)-3-pyrimidin-2-ylthiourea
CID 94830952
1-(3-methoxypropyl)-3-(4-methylhexan-2-yl)thiourea
CID 115662333
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
CID 114856593
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea
CID 115573195
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395704
1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine
CID 116511019

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea (CID 116510318) is 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea is COCCCNC(=S)NC(C)c1ncc[nH]1.
What is the InChIKey of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea?
The InChIKey is WTZPTFAOZXSCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(9-11-5-6-12-9)14-10(16)13-4-3-7-15-2/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)(H2,13,14,16).
What are the key properties of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea?
1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea has a molecular weight of 242.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 116510318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).