5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C16H18N6S2 — CID 175659672

About 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 175659672) has the molecular formula C16H18N6S2 and a molecular weight of 358.50 g/mol. Its IUPAC name is 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
• PubChem CID: 175659672
• Molecular Formula: C16H18N6S2
• Molecular Weight: 358.50 g/mol
• Exact Mass: 358.10
• IUPAC Name: 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
• SMILES: Cc1cnc(Nc2cncc(C3CCCN3Cc3nccs3)n2)s1
• InChI: InChI=1S/C16H18N6S2/c1-11-7-19-16(24-11)21-14-9-17-8-12(20-14)13-3-2-5-22(13)10-15-18-4-6-23-15/h4,6-9,13H,2-3,5,10H2,1H3,(H,19,20,21)
• InChIKey: CZNKDKMSEZBPQD-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The IUPAC name of 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 175659672) is 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2cncc(C3CCCN3Cc3nccs3)n2)s1.

What is the InChIKey of 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The InChIKey is CZNKDKMSEZBPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S2/c1-11-7-19-16(24-11)21-14-9-17-8-12(20-14)13-3-2-5-22(13)10-15-18-4-6-23-15/h4,6-9,13H,2-3,5,10H2,1H3,(H,19,20,21).

What are the key properties of 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 358.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175659672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).