5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine

C11H17ClN6S — CID 125446015

IUPAC5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C[C@H](C)NCc2nnc(N)s2)c(C)c1Cl
InChIInChI=1S/C11H17ClN6S/c1-6(14-4-9-15-16-11(13)19-9)5-18-8(3)10(12)7(2)17-18/h6,14H,4-5H2,1-3H3,(H2,13,16)/t6-/m0/s1
InChIKeyQNIAQAPLOJJEJR-LURJTMIESA-N
MW300.82 g/mol
LogP1.77
Rot. Bonds5

About 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125446015) has the molecular formula C11H17ClN6S and a molecular weight of 300.82 g/mol. Its IUPAC name is 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID125446015
Molecular FormulaC11H17ClN6S
Molecular Weight300.82 g/mol
Exact Mass300.09
IUPAC Name5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C[C@H](C)NCc2nnc(N)s2)c(C)c1Cl
InChIInChI=1S/C11H17ClN6S/c1-6(14-4-9-15-16-11(13)19-9)5-18-8(3)10(12)7(2)17-18/h6,14H,4-5H2,1-3H3,(H2,13,16)/t6-/m0/s1
InChIKeyQNIAQAPLOJJEJR-LURJTMIESA-N
XLogP1.77
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.82
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine (CID 125446015) is 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine is Cc1nn(C[C@H](C)NCc2nnc(N)s2)c(C)c1Cl.
What is the InChIKey of 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QNIAQAPLOJJEJR-LURJTMIESA-N. The full InChI is InChI=1S/C11H17ClN6S/c1-6(14-4-9-15-16-11(13)19-9)5-18-8(3)10(12)7(2)17-18/h6,14H,4-5H2,1-3H3,(H2,13,16)/t6-/m0/s1.
What are the key properties of 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 300.82 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125446015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).