1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C11H15N7S — CID 97282916

IUPAC1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@@H](C)Cn3cncn3)sc12
InChIInChI=1S/C11H15N7S/c1-7(4-18-6-12-5-13-18)14-11-15-10-9(19-11)8(2)16-17(10)3/h5-7H,4H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeyREEOLUXVDDYXHR-ZETCQYMHSA-N
MW277.36 g/mol
LogP1.43
Rot. Bonds4

About 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97282916) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97282916
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@@H](C)Cn3cncn3)sc12
InChIInChI=1S/C11H15N7S/c1-7(4-18-6-12-5-13-18)14-11-15-10-9(19-11)8(2)16-17(10)3/h5-7H,4H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeyREEOLUXVDDYXHR-ZETCQYMHSA-N
XLogP1.43
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97282916) is 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N[C@@H](C)Cn3cncn3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is REEOLUXVDDYXHR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N7S/c1-7(4-18-6-12-5-13-18)14-11-15-10-9(19-11)8(2)16-17(10)3/h5-7H,4H2,1-3H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 277.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97282916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).