1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea

C9H15N5S2 — CID 9392197

IUPAC1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea
SMILESCCNC(=S)N/N=C(/C)c1c(C)nsc1N
InChIInChI=1S/C9H15N5S2/c1-4-11-9(15)13-12-5(2)7-6(3)14-16-8(7)10/h4,10H2,1-3H3,(H2,11,13,15)/b12-5-
InChIKeyRVNHNQAKPCUXQX-XGICHPGQSA-N
MW257.39 g/mol
LogP1.24
Rot. Bonds3

About 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea

1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea (PubChem CID 9392197) has the molecular formula C9H15N5S2 and a molecular weight of 257.39 g/mol. Its IUPAC name is 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea
PubChem CID9392197
Molecular FormulaC9H15N5S2
Molecular Weight257.39 g/mol
Exact Mass257.08
IUPAC Name1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea
SMILESCCNC(=S)N/N=C(/C)c1c(C)nsc1N
InChIInChI=1S/C9H15N5S2/c1-4-11-9(15)13-12-5(2)7-6(3)14-16-8(7)10/h4,10H2,1-3H3,(H2,11,13,15)/b12-5-
InChIKeyRVNHNQAKPCUXQX-XGICHPGQSA-N
XLogP1.24
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea?
The IUPAC name of 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea (CID 9392197) is 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea.
What is the SMILES notation for 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea?
The canonical SMILES for 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea is CCNC(=S)N/N=C(/C)c1c(C)nsc1N.
What is the InChIKey of 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea?
The InChIKey is RVNHNQAKPCUXQX-XGICHPGQSA-N. The full InChI is InChI=1S/C9H15N5S2/c1-4-11-9(15)13-12-5(2)7-6(3)14-16-8(7)10/h4,10H2,1-3H3,(H2,11,13,15)/b12-5-.
What are the key properties of 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea?
1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea has a molecular weight of 257.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-ethylthiourea is sourced from PubChem (CID 9392197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).