1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

C19H18N6OS2 — CID 78879907

About 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 78879907) has the molecular formula C19H18N6OS2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
• PubChem CID: 78879907
• Molecular Formula: C19H18N6OS2
• Molecular Weight: 410.53 g/mol
• Exact Mass: 410.10
• IUPAC Name: 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
• SMILES: Cc1nc(-c2ccc(CCNC(=O)Nc3cccnc3-n3cccn3)s2)cs1
• InChI: InChI=1S/C19H18N6OS2/c1-13-23-16(12-27-13)17-6-5-14(28-17)7-10-21-19(26)24-15-4-2-8-20-18(15)25-11-3-9-22-25/h2-6,8-9,11-12H,7,10H2,1H3,(H2,21,24,26)
• InChIKey: FUCUWOOGGJJZRK-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.53
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?

The IUPAC name of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (CID 78879907) is 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.

What is the SMILES notation for 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?

The canonical SMILES for 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is Cc1nc(-c2ccc(CCNC(=O)Nc3cccnc3-n3cccn3)s2)cs1.

What is the InChIKey of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?

The InChIKey is FUCUWOOGGJJZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS2/c1-13-23-16(12-27-13)17-6-5-14(28-17)7-10-21-19(26)24-15-4-2-8-20-18(15)25-11-3-9-22-25/h2-6,8-9,11-12H,7,10H2,1H3,(H2,21,24,26).

What are the key properties of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?

1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 410.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 78879907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).