5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C14H16N6S — CID 106044435

IUPAC5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCc1c(CNc2snc(N)c2-c2cccnc2)cnn1C
InChIInChI=1S/C14H16N6S/c1-9-11(8-18-20(9)2)7-17-14-12(13(15)19-21-14)10-4-3-5-16-6-10/h3-6,8,17H,7H2,1-2H3,(H2,15,19)
InChIKeyLRBWGEOQQBSDCA-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.44
Rot. Bonds4

About 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 106044435) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID106044435
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCc1c(CNc2snc(N)c2-c2cccnc2)cnn1C
InChIInChI=1S/C14H16N6S/c1-9-11(8-18-20(9)2)7-17-14-12(13(15)19-21-14)10-4-3-5-16-6-10/h3-6,8,17H,7H2,1-2H3,(H2,15,19)
InChIKeyLRBWGEOQQBSDCA-UHFFFAOYSA-N
XLogP2.44
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 106044435) is 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Cc1c(CNc2snc(N)c2-c2cccnc2)cnn1C.
What is the InChIKey of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is LRBWGEOQQBSDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-9-11(8-18-20(9)2)7-17-14-12(13(15)19-21-14)10-4-3-5-16-6-10/h3-6,8,17H,7H2,1-2H3,(H2,15,19).
What are the key properties of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 300.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106044435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).