tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate

C14H21N5O2S — CID 107256004

About tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107256004) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
• PubChem CID: 107256004
• Molecular Formula: C14H21N5O2S
• Molecular Weight: 323.42 g/mol
• Exact Mass: 323.14
• IUPAC Name: tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
• SMILES: Cc1ncc(CNCc2cn[nH]c2NC(=O)OC(C)(C)C)s1
• InChI: InChI=1S/C14H21N5O2S/c1-9-16-8-11(22-9)7-15-5-10-6-17-19-12(10)18-13(20)21-14(2,3)4/h6,8,15H,5,7H2,1-4H3,(H2,17,18,19,20)
• InChIKey: RMQOWQZNCRRLFT-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.42
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?

The IUPAC name of tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate (CID 107256004) is tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate is Cc1ncc(CNCc2cn[nH]c2NC(=O)OC(C)(C)C)s1.

What is the InChIKey of tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?

The InChIKey is RMQOWQZNCRRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9-16-8-11(22-9)7-15-5-10-6-17-19-12(10)18-13(20)21-14(2,3)4/h6,8,15H,5,7H2,1-4H3,(H2,17,18,19,20).

What are the key properties of tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?

tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 323.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107256004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).