N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C18H22FN7OS — CID 165129911

IUPACN-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNCC1CCC(F)(Cn2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)cn2)CC1
InChIInChI=1S/C18H22FN7OS/c19-18(3-1-12(5-20)2-4-18)11-26-9-14(8-23-26)24-16(27)15-10-28-17(25-15)13-6-21-22-7-13/h6-10,12H,1-5,11,20H2,(H,21,22)(H,24,27)
InChIKeyVCJJZFMTMIYKEL-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.84
Rot. Bonds6

About N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129911) has the molecular formula C18H22FN7OS and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129911
Molecular FormulaC18H22FN7OS
Molecular Weight403.49 g/mol
Exact Mass403.16
IUPAC NameN-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNCC1CCC(F)(Cn2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)cn2)CC1
InChIInChI=1S/C18H22FN7OS/c19-18(3-1-12(5-20)2-4-18)11-26-9-14(8-23-26)24-16(27)15-10-28-17(25-15)13-6-21-22-7-13/h6-10,12H,1-5,11,20H2,(H,21,22)(H,24,27)
InChIKeyVCJJZFMTMIYKEL-UHFFFAOYSA-N
XLogP2.84
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129911) is N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is NCC1CCC(F)(Cn2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)cn2)CC1.
What is the InChIKey of N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VCJJZFMTMIYKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7OS/c19-18(3-1-12(5-20)2-4-18)11-26-9-14(8-23-26)24-16(27)15-10-28-17(25-15)13-6-21-22-7-13/h6-10,12H,1-5,11,20H2,(H,21,22)(H,24,27).
What are the key properties of N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(aminomethyl)-1-fluorocyclohexyl]methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).