1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C14H17N5OS — CID 97282166

IUPAC1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@H](C)Oc3cccnc3)sc12
InChIInChI=1S/C14H17N5OS/c1-9(20-11-5-4-6-15-8-11)7-16-14-17-13-12(21-14)10(2)18-19(13)3/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyBJSADGZDNWJSCE-VIFPVBQESA-N
MW303.39 g/mol
LogP2.61
Rot. Bonds5

About 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97282166) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97282166
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@H](C)Oc3cccnc3)sc12
InChIInChI=1S/C14H17N5OS/c1-9(20-11-5-4-6-15-8-11)7-16-14-17-13-12(21-14)10(2)18-19(13)3/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyBJSADGZDNWJSCE-VIFPVBQESA-N
XLogP2.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97282166) is 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC[C@H](C)Oc3cccnc3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is BJSADGZDNWJSCE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9(20-11-5-4-6-15-8-11)7-16-14-17-13-12(21-14)10(2)18-19(13)3/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 303.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97282166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).