1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole

C14H21N5S — CID 97445950

IUPAC1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CC[C@H](N4CCCC4)C3)sc12
InChIInChI=1S/C14H21N5S/c1-10-12-13(17(2)16-10)15-14(20-12)19-8-5-11(9-19)18-6-3-4-7-18/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeySJICFJJLYGHGGV-NSHDSACASA-N
MW291.42 g/mol
LogP2.01
Rot. Bonds2

About 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole

1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 97445950) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID97445950
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CC[C@H](N4CCCC4)C3)sc12
InChIInChI=1S/C14H21N5S/c1-10-12-13(17(2)16-10)15-14(20-12)19-8-5-11(9-19)18-6-3-4-7-18/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeySJICFJJLYGHGGV-NSHDSACASA-N
XLogP2.01
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 97445950) is 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CC[C@H](N4CCCC4)C3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is SJICFJJLYGHGGV-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5S/c1-10-12-13(17(2)16-10)15-14(20-12)19-8-5-11(9-19)18-6-3-4-7-18/h11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 291.42 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 97445950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).