but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate

C23H25N5O2S — CID 46889242

IUPACbut-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC#CCOC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)n[nH]1
InChIInChI=1S/C23H25N5O2S/c1-2-3-12-30-23(29)25-15-18-13-19(28-27-18)21-20(16-8-5-4-6-9-16)26-22(31-21)17-10-7-11-24-14-17/h7,10-11,13-14,16H,4-6,8-9,12,15H2,1H3,(H,25,29)(H,27,28)
InChIKeyJKWXVGOCMJQBHM-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.89
Rot. Bonds6

About but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate

but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 46889242) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Namebut-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID46889242
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Namebut-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC#CCOC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)n[nH]1
InChIInChI=1S/C23H25N5O2S/c1-2-3-12-30-23(29)25-15-18-13-19(28-27-18)21-20(16-8-5-4-6-9-16)26-22(31-21)17-10-7-11-24-14-17/h7,10-11,13-14,16H,4-6,8-9,12,15H2,1H3,(H,25,29)(H,27,28)
InChIKeyJKWXVGOCMJQBHM-UHFFFAOYSA-N
XLogP4.89
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prop-2-Yn-1-Yl {[5-(4-Piperidin-1-Yl-2-Pyridin-3-Yl-1,3-Thiazol-5-Yl)-1h-Pyrazol-3-Yl]methyl}carbamate
CID 10180587
but-2-ynyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10137928
methyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10157715
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
but-2-ynyl N-[[3-[4-(methoxymethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate
CID 46889241
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808820
4-[1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177664163
2-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11962923
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11963000
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11963001
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11963002

Frequently Asked Questions

What is the IUPAC name of but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate (CID 46889242) is but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate is CC#CCOC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)n[nH]1.
What is the InChIKey of but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is JKWXVGOCMJQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-2-3-12-30-23(29)25-15-18-13-19(28-27-18)21-20(16-8-5-4-6-9-16)26-22(31-21)17-10-7-11-24-14-17/h7,10-11,13-14,16H,4-6,8-9,12,15H2,1H3,(H,25,29)(H,27,28).
What are the key properties of but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 435.55 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynyl N-[[3-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 46889242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).