[5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate

C19H25N5O5S2 — CID 164879920

About [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate

[5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate (PubChem CID 164879920) has the molecular formula C19H25N5O5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879920
• Molecular Formula: C19H25N5O5S2
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.13
• IUPAC Name: [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate
• SMILES: COCc1cc(C(=O)Nc2ncc(C3CC(SOC(=O)NC4(C)CC4)CO3)s2)n(C)n1
• InChI: InChI=1S/C19H25N5O5S2/c1-19(4-5-19)22-18(26)29-31-12-7-14(28-10-12)15-8-20-17(30-15)21-16(25)13-6-11(9-27-3)23-24(13)2/h6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,22,26)(H,20,21,25)
• InChIKey: NNRJVTMOMKBXDP-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 116.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate (CID 164879920) is [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate is COCc1cc(C(=O)Nc2ncc(C3CC(SOC(=O)NC4(C)CC4)CO3)s2)n(C)n1.

What is the InChIKey of [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate?

The InChIKey is NNRJVTMOMKBXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S2/c1-19(4-5-19)22-18(26)29-31-12-7-14(28-10-12)15-8-20-17(30-15)21-16(25)13-6-11(9-27-3)23-24(13)2/h6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,22,26)(H,20,21,25).

What are the key properties of [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate?

[5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate has a molecular weight of 467.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]sulfanyl N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).