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

C12H19N5OS — CID 106044474

IUPAC5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCc1c(CNc2snc(N)c2OC(C)C)cnn1C
InChIInChI=1S/C12H19N5OS/c1-7(2)18-10-11(13)16-19-12(10)14-5-9-6-15-17(4)8(9)3/h6-7,14H,5H2,1-4H3,(H2,13,16)
InChIKeyNGUWDGPNDYOTIT-UHFFFAOYSA-N
MW281.39 g/mol
LogP2.17
Rot. Bonds5

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

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 106044474) has the molecular formula C12H19N5OS and a molecular weight of 281.39 g/mol. Its IUPAC name is 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID106044474
Molecular FormulaC12H19N5OS
Molecular Weight281.39 g/mol
Exact Mass281.13
IUPAC Name5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCc1c(CNc2snc(N)c2OC(C)C)cnn1C
InChIInChI=1S/C12H19N5OS/c1-7(2)18-10-11(13)16-19-12(10)14-5-9-6-15-17(4)8(9)3/h6-7,14H,5H2,1-4H3,(H2,13,16)
InChIKeyNGUWDGPNDYOTIT-UHFFFAOYSA-N
XLogP2.17
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 114140206
3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 106044447
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361012
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
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

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 106044474) is 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is Cc1c(CNc2snc(N)c2OC(C)C)cnn1C.
What is the InChIKey of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is NGUWDGPNDYOTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-7(2)18-10-11(13)16-19-12(10)14-5-9-6-15-17(4)8(9)3/h6-7,14H,5H2,1-4H3,(H2,13,16).
What are the key properties of 5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 281.39 g/mol, XLogP of 2.17, 5 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-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106044474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).