1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C12H19N5O3S2 — CID 97444472

IUPAC1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@@H]3CN(S(C)(=O)=O)CCO3)sc12
InChIInChI=1S/C12H19N5O3S2/c1-8-10-11(16(2)15-8)14-12(21-10)13-6-9-7-17(4-5-20-9)22(3,18)19/h9H,4-7H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyMRBLNAVPTDQHIU-SECBINFHSA-N
MW345.45 g/mol
LogP0.41
Rot. Bonds4

About 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97444472) has the molecular formula C12H19N5O3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97444472
Molecular FormulaC12H19N5O3S2
Molecular Weight345.45 g/mol
Exact Mass345.09
IUPAC Name1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@@H]3CN(S(C)(=O)=O)CCO3)sc12
InChIInChI=1S/C12H19N5O3S2/c1-8-10-11(16(2)15-8)14-12(21-10)13-6-9-7-17(4-5-20-9)22(3,18)19/h9H,4-7H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyMRBLNAVPTDQHIU-SECBINFHSA-N
XLogP0.41
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97444472) is 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC[C@@H]3CN(S(C)(=O)=O)CCO3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is MRBLNAVPTDQHIU-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5O3S2/c1-8-10-11(16(2)15-8)14-12(21-10)13-6-9-7-17(4-5-20-9)22(3,18)19/h9H,4-7H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 345.45 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97444472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).