N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine

C20H22ClN5OS — CID 108771925

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)n1
InChIInChI=1S/C20H22ClN5OS/c1-2-17-22-16(21)12-18(23-17)24-20-25-19(14-6-4-3-5-7-14)15(28-20)13-26-8-10-27-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,22,23,24,25)
InChIKeyNNSVZKBOSSUDNC-UHFFFAOYSA-N
MW415.95 g/mol
LogP4.39
Rot. Bonds6

About N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 108771925) has the molecular formula C20H22ClN5OS and a molecular weight of 415.95 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID108771925
Molecular FormulaC20H22ClN5OS
Molecular Weight415.95 g/mol
Exact Mass415.12
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)n1
InChIInChI=1S/C20H22ClN5OS/c1-2-17-22-16(21)12-18(23-17)24-20-25-19(14-6-4-3-5-7-14)15(28-20)13-26-8-10-27-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,22,23,24,25)
InChIKeyNNSVZKBOSSUDNC-UHFFFAOYSA-N
XLogP4.39
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 108771882
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine
CID 108771899
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 108780412
4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 108780400
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929
[3-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108750906

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine (CID 108771925) is N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine is CCc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is NNSVZKBOSSUDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5OS/c1-2-17-22-16(21)12-18(23-17)24-20-25-19(14-6-4-3-5-7-14)15(28-20)13-26-8-10-27-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,22,23,24,25).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 415.95 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 108771925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).