1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea

C14H13N5OS2 — CID 47050439

IUPAC1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H13N5OS2/c1-19(8-10-5-7-21-9-10)14(20)16-13-18-17-12(22-13)11-4-2-3-6-15-11/h2-7,9H,8H2,1H3,(H,16,18,20)
InChIKeyYWOXJOICGQRWNI-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.33
Rot. Bonds4

About 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea

1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 47050439) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
PubChem CID47050439
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC Name1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H13N5OS2/c1-19(8-10-5-7-21-9-10)14(20)16-13-18-17-12(22-13)11-4-2-3-6-15-11/h2-7,9H,8H2,1H3,(H,16,18,20)
InChIKeyYWOXJOICGQRWNI-UHFFFAOYSA-N
XLogP3.33
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-[2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51080423
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272
1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133454922
N-(3-ethynylphenyl)-2-[methyl-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetamide
CID 55835941
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 46992212
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
1-methyl-1-[1-(oxan-4-yl)ethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 167955854

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea (CID 47050439) is 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea is CN(Cc1ccsc1)C(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is YWOXJOICGQRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c1-19(8-10-5-7-21-9-10)14(20)16-13-18-17-12(22-13)11-4-2-3-6-15-11/h2-7,9H,8H2,1H3,(H,16,18,20).
What are the key properties of 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 331.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 47050439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).