N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

C17H24ClN5S — CID 108771882

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(C)c(CN3CCC(C)CC3)s2)n1
InChIInChI=1S/C17H24ClN5S/c1-4-15-20-14(18)9-16(21-15)22-17-19-12(3)13(24-17)10-23-7-5-11(2)6-8-23/h9,11H,4-8,10H2,1-3H3,(H,19,20,21,22)
InChIKeySPZODNOWBYKHQR-UHFFFAOYSA-N
MW365.93 g/mol
LogP4.43
Rot. Bonds5

About N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 108771882) has the molecular formula C17H24ClN5S and a molecular weight of 365.93 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID108771882
Molecular FormulaC17H24ClN5S
Molecular Weight365.93 g/mol
Exact Mass365.14
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(C)c(CN3CCC(C)CC3)s2)n1
InChIInChI=1S/C17H24ClN5S/c1-4-15-20-14(18)9-16(21-15)22-17-19-12(3)13(24-17)10-23-7-5-11(2)6-8-23/h9,11H,4-8,10H2,1-3H3,(H,19,20,21,22)
InChIKeySPZODNOWBYKHQR-UHFFFAOYSA-N
XLogP4.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 108771925
6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108771860
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750793
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679
1-(2,6-diethylphenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108750862
3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750792
(2E,4E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]hexa-2,4-dienamide
CID 108726683
2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726723
(E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 108750838

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 108771882) is N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is CCc1nc(Cl)cc(Nc2nc(C)c(CN3CCC(C)CC3)s2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SPZODNOWBYKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5S/c1-4-15-20-14(18)9-16(21-15)22-17-19-12(3)13(24-17)10-23-7-5-11(2)6-8-23/h9,11H,4-8,10H2,1-3H3,(H,19,20,21,22).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 365.93 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 108771882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).