1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea

C14H13N3OS2 — CID 20690533

IUPAC1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1cc2cc(NC(=S)Nc3ncc(C)s3)ccc2o1
InChIInChI=1S/C14H13N3OS2/c1-8-5-10-6-11(3-4-12(10)18-8)16-13(19)17-14-15-7-9(2)20-14/h3-7H,1-2H3,(H2,15,16,17,19)
InChIKeyZYJONMSFXZUITN-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.32
Rot. Bonds2

About 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea

1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea (PubChem CID 20690533) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea
PubChem CID20690533
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1cc2cc(NC(=S)Nc3ncc(C)s3)ccc2o1
InChIInChI=1S/C14H13N3OS2/c1-8-5-10-6-11(3-4-12(10)18-8)16-13(19)17-14-15-7-9(2)20-14/h3-7H,1-2H3,(H2,15,16,17,19)
InChIKeyZYJONMSFXZUITN-UHFFFAOYSA-N
XLogP4.32
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.32
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

N-[(2-methyl-1-benzofuran-5-yl)carbamothioyl]acetamide
CID 20691246
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
(2-methyl-1-benzofuran-5-yl)hydrazine
CID 45122640
2-[[N'-methyl-N-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]amino]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 142011410
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
CID 131905130
2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane
CID 142010928
4-[(5-methyl-1,3-thiazol-2-yl)amino]phenol
CID 82059170
2-[[(2-methyl-1-benzofuran-5-yl)amino]methylidene]propanedinitrile
CID 168542063
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
N-(5-methyl-1,3-thiazol-2-yl)hydroxylamine
CID 143425859
1-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea
CID 59969976

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea (CID 20690533) is 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea is Cc1cc2cc(NC(=S)Nc3ncc(C)s3)ccc2o1.
What is the InChIKey of 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
The InChIKey is ZYJONMSFXZUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-8-5-10-6-11(3-4-12(10)18-8)16-13(19)17-14-15-7-9(2)20-14/h3-7H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea has a molecular weight of 303.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-benzofuran-5-yl)-3-(5-methyl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 20690533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).