7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C19H21Cl2N5OS — CID 176905845

IUPAC7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCOc1cc(Cl)cc(C)c1-c1nc(Cl)c2sc(N[C@@H]3CCCN(C)C3)nc2n1
InChIInChI=1S/C19H21Cl2N5OS/c1-10-7-11(20)8-13(27-3)14(10)17-23-16(21)15-18(24-17)25-19(28-15)22-12-5-4-6-26(2)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,22,23,24,25)/t12-/m1/s1
InChIKeyVYYSQUDBIJKOOD-GFCCVEGCSA-N
MW438.38 g/mol
LogP4.88
Rot. Bonds4

About 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 176905845) has the molecular formula C19H21Cl2N5OS and a molecular weight of 438.38 g/mol. Its IUPAC name is 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID176905845
Molecular FormulaC19H21Cl2N5OS
Molecular Weight438.38 g/mol
Exact Mass437.08
IUPAC Name7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCOc1cc(Cl)cc(C)c1-c1nc(Cl)c2sc(N[C@@H]3CCCN(C)C3)nc2n1
InChIInChI=1S/C19H21Cl2N5OS/c1-10-7-11(20)8-13(27-3)14(10)17-23-16(21)15-18(24-17)25-19(28-15)22-12-5-4-6-26(2)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,22,23,24,25)/t12-/m1/s1
InChIKeyVYYSQUDBIJKOOD-GFCCVEGCSA-N
XLogP4.88
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 104646165
2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
CID 170743484
6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
CID 175867644
4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
CID 79147278
5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170156002
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905785
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol
CID 170787755
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 172518745
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 176905845) is 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is COc1cc(Cl)cc(C)c1-c1nc(Cl)c2sc(N[C@@H]3CCCN(C)C3)nc2n1.
What is the InChIKey of 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is VYYSQUDBIJKOOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21Cl2N5OS/c1-10-7-11(20)8-13(27-3)14(10)17-23-16(21)15-18(24-17)25-19(28-15)22-12-5-4-6-26(2)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,22,23,24,25)/t12-/m1/s1.
What are the key properties of 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 438.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 176905845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).