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

C10H18N4S — CID 116510320

IUPAC1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC(C)c1ncc[nH]1
InChIInChI=1S/C10H18N4S/c1-7(2)6-13-10(15)14-8(3)9-11-4-5-12-9/h4-5,7-8H,6H2,1-3H3,(H,11,12)(H2,13,14,15)
InChIKeyJBPQLSHOUAMDPK-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.59
Rot. Bonds4

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

1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea (PubChem CID 116510320) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea
PubChem CID116510320
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC(C)c1ncc[nH]1
InChIInChI=1S/C10H18N4S/c1-7(2)6-13-10(15)14-8(3)9-11-4-5-12-9/h4-5,7-8H,6H2,1-3H3,(H,11,12)(H2,13,14,15)
InChIKeyJBPQLSHOUAMDPK-UHFFFAOYSA-N
XLogP1.59
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea
CID 116510318
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675508
1-amino-3-[1-(1H-imidazol-2-yl)ethyl]-2-methylguanidine
CID 116511019
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
2-[[1-(1H-imidazol-2-yl)ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474702
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
1H-imidazol-2-yl N-(2-methylpropyl)carbamate
CID 70568732
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea (CID 116510320) is 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NC(C)c1ncc[nH]1.
What is the InChIKey of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea?
The InChIKey is JBPQLSHOUAMDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7(2)6-13-10(15)14-8(3)9-11-4-5-12-9/h4-5,7-8H,6H2,1-3H3,(H,11,12)(H2,13,14,15).
What are the key properties of 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea?
1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea has a molecular weight of 226.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 116510320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).