1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea

C10H13N5S2 — CID 3003033

IUPAC1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCCn1ccnc1)Nc1nccs1
InChIInChI=1S/C10H13N5S2/c16-9(14-10-13-4-7-17-10)12-2-1-5-15-6-3-11-8-15/h3-4,6-8H,1-2,5H2,(H2,12,13,14,16)
InChIKeyZNGWLXUWKOFBOA-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.72
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea

1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3003033) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3003033
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCCn1ccnc1)Nc1nccs1
InChIInChI=1S/C10H13N5S2/c16-9(14-10-13-4-7-17-10)12-2-1-5-15-6-3-11-8-15/h3-4,6-8H,1-2,5H2,(H2,12,13,14,16)
InChIKeyZNGWLXUWKOFBOA-UHFFFAOYSA-N
XLogP1.72
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N,N'-Di-2-thiazolylethylenediamine
CID 100047
N-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 45830080
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 686016
2-Imidazolylimino-delta4-thiazoline
CID 21949753
1-(1-Imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47253363
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75432137
N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77084707
(1S)-N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 97879103
2-imidazol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52145872
3-(methylthio)-N,N'-di(thiazol-2-yl)propane-1,1-diamine
CID 122707058
2-(methyldisulfaneyl)-N,N'-di(thiazol-2-yl)ethane-1,1-diamine
CID 122707063
2-methyl-N,N'-di(thiazol-2-yl)propane-1,1-diamine
CID 122707066

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea (CID 3003033) is 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCCn1ccnc1)Nc1nccs1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is ZNGWLXUWKOFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c16-9(14-10-13-4-7-17-10)12-2-1-5-15-6-3-11-8-15/h3-4,6-8H,1-2,5H2,(H2,12,13,14,16).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 267.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3003033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).