1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea

C11H13N5O2S2 — CID 2745770

IUPAC1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea
SMILESCNC(=S)NNC(=O)c1sc(-c2cc(C)on2)nc1C
InChIInChI=1S/C11H13N5O2S2/c1-5-4-7(16-18-5)10-13-6(2)8(20-10)9(17)14-15-11(19)12-3/h4H,1-3H3,(H,14,17)(H2,12,15,19)
InChIKeyKROFPGHAWNKDLJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.15
Rot. Bonds2

About 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea

1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea (PubChem CID 2745770) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea
PubChem CID2745770
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea
SMILESCNC(=S)NNC(=O)c1sc(-c2cc(C)on2)nc1C
InChIInChI=1S/C11H13N5O2S2/c1-5-4-7(16-18-5)10-13-6(2)8(20-10)9(17)14-15-11(19)12-3/h4H,1-3H3,(H,14,17)(H2,12,15,19)
InChIKeyKROFPGHAWNKDLJ-UHFFFAOYSA-N
XLogP1.15
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea?
The IUPAC name of 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea (CID 2745770) is 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea.
What is the SMILES notation for 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea?
The canonical SMILES for 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea is CNC(=S)NNC(=O)c1sc(-c2cc(C)on2)nc1C.
What is the InChIKey of 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea?
The InChIKey is KROFPGHAWNKDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-5-4-7(16-18-5)10-13-6(2)8(20-10)9(17)14-15-11(19)12-3/h4H,1-3H3,(H,14,17)(H2,12,15,19).
What are the key properties of 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea?
1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea has a molecular weight of 311.39 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea is sourced from PubChem (CID 2745770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).