1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C14H17N5S — CID 97270175

IUPAC1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1ccc([C@H](C)Nc2nc3c(s2)c(C)nn3C)cn1
InChIInChI=1S/C14H17N5S/c1-8-5-6-11(7-15-8)9(2)16-14-17-13-12(20-14)10(3)18-19(13)4/h5-7,9H,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyFWYPVVVMKXNTBY-VIFPVBQESA-N
MW287.39 g/mol
LogP3.21
Rot. Bonds3

About 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97270175) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97270175
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1ccc([C@H](C)Nc2nc3c(s2)c(C)nn3C)cn1
InChIInChI=1S/C14H17N5S/c1-8-5-6-11(7-15-8)9(2)16-14-17-13-12(20-14)10(3)18-19(13)4/h5-7,9H,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyFWYPVVVMKXNTBY-VIFPVBQESA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97270175) is 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1ccc([C@H](C)Nc2nc3c(s2)c(C)nn3C)cn1.
What is the InChIKey of 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is FWYPVVVMKXNTBY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5S/c1-8-5-6-11(7-15-8)9(2)16-14-17-13-12(20-14)10(3)18-19(13)4/h5-7,9H,1-4H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 287.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97270175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).