N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

C15H27Cl2N3OS — CID 119479070

IUPACN-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)NC2CCC(N)CC2)cs1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-15(2,3)14-18-12(9-20-14)8-13(19)17-11-6-4-10(16)5-7-11;;/h9-11H,4-8,16H2,1-3H3,(H,17,19);2*1H
InChIKeyRDQXPNOLNCPMJR-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.21
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119479070) has the molecular formula C15H27Cl2N3OS and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119479070
Molecular FormulaC15H27Cl2N3OS
Molecular Weight368.37 g/mol
Exact Mass367.13
IUPAC NameN-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)NC2CCC(N)CC2)cs1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-15(2,3)14-18-12(9-20-14)8-13(19)17-11-6-4-10(16)5-7-11;;/h9-11H,4-8,16H2,1-3H3,(H,17,19);2*1H
InChIKeyRDQXPNOLNCPMJR-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1R,2S)-2-propylcyclopropyl]acetamide
CID 100629634
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119478811
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547666
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119559461
1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
CID 119381807

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119479070) is N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CC(C)(C)c1nc(CC(=O)NC2CCC(N)CC2)cs1.Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is RDQXPNOLNCPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.2ClH/c1-15(2,3)14-18-12(9-20-14)8-13(19)17-11-6-4-10(16)5-7-11;;/h9-11H,4-8,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 368.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119479070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).