4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine

C12H19N5OS — CID 103365233

IUPAC4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCCCn1cccn1
InChIInChI=1S/C12H19N5OS/c1-9(2)18-10-11(13)16-19-12(10)14-5-3-7-17-8-4-6-15-17/h4,6,8-9,14H,3,5,7H2,1-2H3,(H2,13,16)
InChIKeyNHNLUSKKGDALRU-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.21
Rot. Bonds7

About 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine

4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365233) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103365233
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCCCn1cccn1
InChIInChI=1S/C12H19N5OS/c1-9(2)18-10-11(13)16-19-12(10)14-5-3-7-17-8-4-6-15-17/h4,6,8-9,14H,3,5,7H2,1-2H3,(H2,13,16)
InChIKeyNHNLUSKKGDALRU-UHFFFAOYSA-N
XLogP2.21
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
CID 103507970
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360909
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359486
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150463
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine (CID 103365233) is 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCCCn1cccn1.
What is the InChIKey of 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NHNLUSKKGDALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-9(2)18-10-11(13)16-19-12(10)14-5-3-7-17-8-4-6-15-17/h4,6,8-9,14H,3,5,7H2,1-2H3,(H2,13,16).
What are the key properties of 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 281.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).