4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine

C13H18N4OS — CID 125168426

IUPAC4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(C[C@H]2CCCCO2)n1
InChIInChI=1S/C13H18N4OS/c1-9-12(19-13(14)15-9)11-5-6-17(16-11)8-10-4-2-3-7-18-10/h5-6,10H,2-4,7-8H2,1H3,(H2,14,15)/t10-/m1/s1
InChIKeyALAHQYUJKZHGEI-SNVBAGLBSA-N
MW278.38 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine

4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 125168426) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID125168426
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(C[C@H]2CCCCO2)n1
InChIInChI=1S/C13H18N4OS/c1-9-12(19-13(14)15-9)11-5-6-17(16-11)8-10-4-2-3-7-18-10/h5-6,10H,2-4,7-8H2,1H3,(H2,14,15)/t10-/m1/s1
InChIKeyALAHQYUJKZHGEI-SNVBAGLBSA-N
XLogP2.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 56860448
4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 26278609
N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26357610
5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29107228
2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
CID 45206673
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563869
3-(azidomethyl)-1-(oxolan-2-ylmethyl)pyrazole
CID 168728198
1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109686
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine (CID 125168426) is 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccn(C[C@H]2CCCCO2)n1.
What is the InChIKey of 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is ALAHQYUJKZHGEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-12(19-13(14)15-9)11-5-6-17(16-11)8-10-4-2-3-7-18-10/h5-6,10H,2-4,7-8H2,1H3,(H2,14,15)/t10-/m1/s1.
What are the key properties of 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 125168426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).