1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea

C10H17N3S2 — CID 115588039

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea
SMILESCCNC(=S)NC(C)c1sc(C)nc1C
InChIInChI=1S/C10H17N3S2/c1-5-11-10(14)13-7(3)9-6(2)12-8(4)15-9/h7H,5H2,1-4H3,(H2,11,13,14)
InChIKeyRZALKOHKFJKIAZ-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.30
Rot. Bonds3

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea (PubChem CID 115588039) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea
PubChem CID115588039
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea
SMILESCCNC(=S)NC(C)c1sc(C)nc1C
InChIInChI=1S/C10H17N3S2/c1-5-11-10(14)13-7(3)9-6(2)12-8(4)15-9/h7H,5H2,1-4H3,(H2,11,13,14)
InChIKeyRZALKOHKFJKIAZ-UHFFFAOYSA-N
XLogP2.30
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea (CID 115588039) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea is CCNC(=S)NC(C)c1sc(C)nc1C.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea?
The InChIKey is RZALKOHKFJKIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-5-11-10(14)13-7(3)9-6(2)12-8(4)15-9/h7H,5H2,1-4H3,(H2,11,13,14).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea has a molecular weight of 243.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea is sourced from PubChem (CID 115588039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).