N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C16H27N5S — CID 72883385

IUPACN,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)CC3CCN(CC(C)C)C3)sc12
InChIInChI=1S/C16H27N5S/c1-11(2)8-21-7-6-13(10-21)9-19(4)16-17-15-14(22-16)12(3)18-20(15)5/h11,13H,6-10H2,1-5H3
InChIKeyBBDHSMZMBDSCHF-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.75
Rot. Bonds5

About N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72883385) has the molecular formula C16H27N5S and a molecular weight of 321.49 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72883385
Molecular FormulaC16H27N5S
Molecular Weight321.49 g/mol
Exact Mass321.20
IUPAC NameN,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)CC3CCN(CC(C)C)C3)sc12
InChIInChI=1S/C16H27N5S/c1-11(2)8-21-7-6-13(10-21)9-19(4)16-17-15-14(22-16)12(3)18-20(15)5/h11,13H,6-10H2,1-5H3
InChIKeyBBDHSMZMBDSCHF-UHFFFAOYSA-N
XLogP2.75
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.75
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-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72883385) is N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(C)CC3CCN(CC(C)C)C3)sc12.
What is the InChIKey of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is BBDHSMZMBDSCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5S/c1-11(2)8-21-7-6-13(10-21)9-19(4)16-17-15-14(22-16)12(3)18-20(15)5/h11,13H,6-10H2,1-5H3.
What are the key properties of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 321.49 g/mol, XLogP of 2.75, 5 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-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72883385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).