N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

C17H18N8S2 — CID 162492744

IUPACN-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cn3)nc2s1)[C@H]1CCCNC1
InChIInChI=1S/C17H18N8S2/c1-25(12-3-2-4-18-9-12)17-24-16-15(27-17)23-14(26-16)13-19-5-10(6-20-13)11-7-21-22-8-11/h5-8,12,18H,2-4,9H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyOZDQHCVZRBDVFT-LBPRGKRZSA-N
MW398.52 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 162492744) has the molecular formula C17H18N8S2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID162492744
Molecular FormulaC17H18N8S2
Molecular Weight398.52 g/mol
Exact Mass398.11
IUPAC NameN-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESCN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cn3)nc2s1)[C@H]1CCCNC1
InChIInChI=1S/C17H18N8S2/c1-25(12-3-2-4-18-9-12)17-24-16-15(27-17)23-14(26-16)13-19-5-10(6-20-13)11-7-21-22-8-11/h5-8,12,18H,2-4,9H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyOZDQHCVZRBDVFT-LBPRGKRZSA-N
XLogP2.79
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-2-[2-(1H-pyrazol-4-yl)pyrimidin-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492588
2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
CID 162492820
2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 162492684
N-methyl-2-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492651
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492768
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492745
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
N-(1,2-dimethylpiperidin-4-yl)-N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163921856
N-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71641107
3-ethyl-N-methyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65276221
N-(1,4-dimethylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106551810

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (CID 162492744) is N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is CN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cn3)nc2s1)[C@H]1CCCNC1.
What is the InChIKey of N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is OZDQHCVZRBDVFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N8S2/c1-25(12-3-2-4-18-9-12)17-24-16-15(27-17)23-14(26-16)13-19-5-10(6-20-13)11-7-21-22-8-11/h5-8,12,18H,2-4,9H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 398.52 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 162492744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).