(4-methyl-1,3-thiazol-2-yl)thiourea

C5H7N3S2 — CID 13329463

IUPAC(4-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1csc(NC(N)=S)n1
InChIInChI=1S/C5H7N3S2/c1-3-2-10-5(7-3)8-4(6)9/h2H,1H3,(H3,6,7,8,9)
InChIKeyBYBCWGVPPMADNO-UHFFFAOYSA-N
MW173.27 g/mol
LogP1.11
Rot. Bonds1

About (4-methyl-1,3-thiazol-2-yl)thiourea

(4-methyl-1,3-thiazol-2-yl)thiourea (PubChem CID 13329463) has the molecular formula C5H7N3S2 and a molecular weight of 173.27 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)thiourea
PubChem CID13329463
Molecular FormulaC5H7N3S2
Molecular Weight173.27 g/mol
Exact Mass173.01
IUPAC Name(4-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1csc(NC(N)=S)n1
InChIInChI=1S/C5H7N3S2/c1-3-2-10-5(7-3)8-4(6)9/h2H,1H3,(H3,6,7,8,9)
InChIKeyBYBCWGVPPMADNO-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 51.11
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 (4-methyl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)thiourea (CID 13329463) is (4-methyl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)thiourea is Cc1csc(NC(N)=S)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)thiourea?
The InChIKey is BYBCWGVPPMADNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S2/c1-3-2-10-5(7-3)8-4(6)9/h2H,1H3,(H3,6,7,8,9).
What are the key properties of (4-methyl-1,3-thiazol-2-yl)thiourea?
(4-methyl-1,3-thiazol-2-yl)thiourea has a molecular weight of 173.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 13329463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).