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

C10H15N5OS — CID 103359486

IUPAC4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCc1ccn[nH]1
InChIInChI=1S/C10H15N5OS/c1-6(2)16-8-9(11)15-17-10(8)12-5-7-3-4-13-14-7/h3-4,6,12H,5H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeyBGCZGDOCJBFRHG-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.85
Rot. Bonds5

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

4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359486) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103359486
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCc1ccn[nH]1
InChIInChI=1S/C10H15N5OS/c1-6(2)16-8-9(11)15-17-10(8)12-5-7-3-4-13-14-7/h3-4,6,12H,5H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeyBGCZGDOCJBFRHG-UHFFFAOYSA-N
XLogP1.85
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361012
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 103359858
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
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
3-tert-butyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65276376

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103359486) is 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCc1ccn[nH]1.
What is the InChIKey of 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BGCZGDOCJBFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6(2)16-8-9(11)15-17-10(8)12-5-7-3-4-13-14-7/h3-4,6,12H,5H2,1-2H3,(H2,11,15)(H,13,14).
What are the key properties of 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 253.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).