1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

C10H11N3OS2 — CID 3001099

IUPAC1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCc1ccco1)Nc1nccs1
InChIInChI=1S/C10H11N3OS2/c15-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-14-8/h1-2,5-7H,3-4H2,(H2,11,12,13,15)
InChIKeyHSLMRTQANDUJDA-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3001099) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3001099
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCc1ccco1)Nc1nccs1
InChIInChI=1S/C10H11N3OS2/c15-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-14-8/h1-2,5-7H,3-4H2,(H2,11,12,13,15)
InChIKeyHSLMRTQANDUJDA-UHFFFAOYSA-N
XLogP2.27
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003032
(5Z)-5-(2-furylmethylene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 5953874
(E)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2315023
5-(2-Furylmethylene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 7918703
3-(5-Ethyl-furan-2-yl)-N-thiazol-2-yl-propionamide
CID 652739
3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 705798
2-[(2-chloroacetyl)amino]-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 11645327
2-((furan-2-ylmethyl)thio)-N-(thiazol-2-yl)acetamide
CID 4175544
4-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)-N-(thiazol-2-yl)butanamide
CID 42111144
N-(2-furylmethyl)-1,3-thiazol-2-amine hydrochloride
CID 45791386
N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 27368797
3-(5-methyl-2-furanyl)-N-(2-thiazolyl)-2-propenamide
CID 3691490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (CID 3001099) is 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCc1ccco1)Nc1nccs1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is HSLMRTQANDUJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c15-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-14-8/h1-2,5-7H,3-4H2,(H2,11,12,13,15).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 253.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3001099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).