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

C10H15N5OS — CID 114140206

IUPAC5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1cnn(C)c1C
InChIInChI=1S/C10H15N5OS/c1-6-7(5-13-15(6)2)4-12-10-8(16-3)9(11)14-17-10/h5,12H,4H2,1-3H3,(H2,11,14)
InChIKeyZRDWXGGAXRXIHE-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.39
Rot. Bonds4

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

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine (PubChem CID 114140206) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
PubChem CID114140206
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1cnn(C)c1C
InChIInChI=1S/C10H15N5OS/c1-6-7(5-13-15(6)2)4-12-10-8(16-3)9(11)14-17-10/h5,12H,4H2,1-3H3,(H2,11,14)
InChIKeyZRDWXGGAXRXIHE-UHFFFAOYSA-N
XLogP1.39
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474
3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 106044447
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103378191
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106044735
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 106041373
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
CID 106048244

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine (CID 114140206) is 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCc1cnn(C)c1C.
What is the InChIKey of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
The InChIKey is ZRDWXGGAXRXIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6-7(5-13-15(6)2)4-12-10-8(16-3)9(11)14-17-10/h5,12H,4H2,1-3H3,(H2,11,14).
What are the key properties of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine has a molecular weight of 253.33 g/mol, XLogP of 1.39, 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-methoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 114140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).