1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C17H22N6OS — CID 97280743

IUPAC1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@H](c3ccncc3)N3CCOCC3)sc12
InChIInChI=1S/C17H22N6OS/c1-12-15-16(22(2)21-12)20-17(25-15)19-11-14(13-3-5-18-6-4-13)23-7-9-24-10-8-23/h3-6,14H,7-11H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySUNXKIBNMGAWLT-CQSZACIVSA-N
MW358.47 g/mol
LogP2.22
Rot. Bonds5

About 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97280743) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97280743
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@H](c3ccncc3)N3CCOCC3)sc12
InChIInChI=1S/C17H22N6OS/c1-12-15-16(22(2)21-12)20-17(25-15)19-11-14(13-3-5-18-6-4-13)23-7-9-24-10-8-23/h3-6,14H,7-11H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySUNXKIBNMGAWLT-CQSZACIVSA-N
XLogP2.22
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97269367
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
CID 60506241
5-ethyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 72870325
N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97274513
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444515
5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97210458
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
CID 72841489
6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
2,6-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95127691
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43043352
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42955667

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97280743) is 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC[C@H](c3ccncc3)N3CCOCC3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SUNXKIBNMGAWLT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-12-15-16(22(2)21-12)20-17(25-15)19-11-14(13-3-5-18-6-4-13)23-7-9-24-10-8-23/h3-6,14H,7-11H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 358.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97280743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).