N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

C19H23N5OS — CID 118715022

IUPACN-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ncc(CN)s2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-11-14(10-20)26-18)24(23-16)12-13-7-5-4-6-8-13/h4-9,11H,10,12,20H2,1-3H3,(H,21,22,25)
InChIKeyAQTQREWEZHWOIO-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.40
Rot. Bonds5

About N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (PubChem CID 118715022) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
PubChem CID118715022
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ncc(CN)s2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-11-14(10-20)26-18)24(23-16)12-13-7-5-4-6-8-13/h4-9,11H,10,12,20H2,1-3H3,(H,21,22,25)
InChIKeyAQTQREWEZHWOIO-UHFFFAOYSA-N
XLogP3.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (CID 118715022) is N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)Nc2ncc(CN)s2)n(Cc2ccccc2)n1.
What is the InChIKey of N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The InChIKey is AQTQREWEZHWOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-11-14(10-20)26-18)24(23-16)12-13-7-5-4-6-8-13/h4-9,11H,10,12,20H2,1-3H3,(H,21,22,25).
What are the key properties of N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is sourced from PubChem (CID 118715022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).