N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C12H19N5S — CID 97277734

IUPACN,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)[C@H]3CCN(C)C3)sc12
InChIInChI=1S/C12H19N5S/c1-8-10-11(17(4)14-8)13-12(18-10)16(3)9-5-6-15(2)7-9/h9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyDMLAJBHVWYYFPS-VIFPVBQESA-N
MW265.39 g/mol
LogP1.48
Rot. Bonds2

About N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97277734) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97277734
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)[C@H]3CCN(C)C3)sc12
InChIInChI=1S/C12H19N5S/c1-8-10-11(17(4)14-8)13-12(18-10)16(3)9-5-6-15(2)7-9/h9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyDMLAJBHVWYYFPS-VIFPVBQESA-N
XLogP1.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97277734) is N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(C)[C@H]3CCN(C)C3)sc12.
What is the InChIKey of N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is DMLAJBHVWYYFPS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5S/c1-8-10-11(17(4)14-8)13-12(18-10)16(3)9-5-6-15(2)7-9/h9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 265.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97277734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).