tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate

C15H23F2N3O2S — CID 170765163

IUPACtert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncc(CN)s1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O2S/c1-14(2,3)22-13(21)20(12-19-9-11(8-18)23-12)10-4-6-15(16,17)7-5-10/h9-10H,4-8,18H2,1-3H3
InChIKeyYGEJRCIGKBYWOB-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.92
Rot. Bonds3

About tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate

tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate (PubChem CID 170765163) has the molecular formula C15H23F2N3O2S and a molecular weight of 347.43 g/mol. Its IUPAC name is tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate
PubChem CID170765163
Molecular FormulaC15H23F2N3O2S
Molecular Weight347.43 g/mol
Exact Mass347.15
IUPAC Nametert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncc(CN)s1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O2S/c1-14(2,3)22-13(21)20(12-19-9-11(8-18)23-12)10-4-6-15(16,17)7-5-10/h9-10H,4-8,18H2,1-3H3
InChIKeyYGEJRCIGKBYWOB-UHFFFAOYSA-N
XLogP3.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate 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 tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate?
The IUPAC name of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate (CID 170765163) is tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate is CC(C)(C)OC(=O)N(c1ncc(CN)s1)C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate?
The InChIKey is YGEJRCIGKBYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2S/c1-14(2,3)22-13(21)20(12-19-9-11(8-18)23-12)10-4-6-15(16,17)7-5-10/h9-10H,4-8,18H2,1-3H3.
What are the key properties of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate?
tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate has a molecular weight of 347.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-(4,4-difluorocyclohexyl)carbamate is sourced from PubChem (CID 170765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).