1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol

C17H18ClN5OS — CID 170507303

IUPAC1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc2ccc(Nc3cc(N4CCC(O)CC4)ncn3)c(Cl)c2s1
InChIInChI=1S/C17H18ClN5OS/c1-10-21-13-3-2-12(16(18)17(13)25-10)22-14-8-15(20-9-19-14)23-6-4-11(24)5-7-23/h2-3,8-9,11,24H,4-7H2,1H3,(H,19,20,22)
InChIKeyOTPUMLGBVHNIAJ-UHFFFAOYSA-N
MW375.89 g/mol
LogP3.75
Rot. Bonds3

About 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 170507303) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID170507303
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc2ccc(Nc3cc(N4CCC(O)CC4)ncn3)c(Cl)c2s1
InChIInChI=1S/C17H18ClN5OS/c1-10-21-13-3-2-12(16(18)17(13)25-10)22-14-8-15(20-9-19-14)23-6-4-11(24)5-7-23/h2-3,8-9,11,24H,4-7H2,1H3,(H,19,20,22)
InChIKeyOTPUMLGBVHNIAJ-UHFFFAOYSA-N
XLogP3.75
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
2-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-5-amine
CID 122282312
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
1-[6-(4-chloro-2-methoxy-5-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192836
1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134708312
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134706665

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol (CID 170507303) is 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol is Cc1nc2ccc(Nc3cc(N4CCC(O)CC4)ncn3)c(Cl)c2s1.
What is the InChIKey of 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is OTPUMLGBVHNIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c1-10-21-13-3-2-12(16(18)17(13)25-10)22-14-8-15(20-9-19-14)23-6-4-11(24)5-7-23/h2-3,8-9,11,24H,4-7H2,1H3,(H,19,20,22).
What are the key properties of 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 375.89 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(7-chloro-2-methyl-1,3-benzothiazol-6-yl)amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 170507303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).