4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine

C8H15N3S — CID 56986236

IUPAC4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine
SMILESCC[C@H](C)CNc1csc(N)n1
InChIInChI=1S/C8H15N3S/c1-3-6(2)4-10-7-5-12-8(9)11-7/h5-6,10H,3-4H2,1-2H3,(H2,9,11)/t6-/m0/s1
InChIKeyIKESVOKWRYSWDI-LURJTMIESA-N
MW185.30 g/mol
LogP2.18
Rot. Bonds4

About 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine

4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine (PubChem CID 56986236) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine
PubChem CID56986236
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine
SMILESCC[C@H](C)CNc1csc(N)n1
InChIInChI=1S/C8H15N3S/c1-3-6(2)4-10-7-5-12-8(9)11-7/h5-6,10H,3-4H2,1-2H3,(H2,9,11)/t6-/m0/s1
InChIKeyIKESVOKWRYSWDI-LURJTMIESA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine?
The IUPAC name of 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine (CID 56986236) is 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine is CC[C@H](C)CNc1csc(N)n1.
What is the InChIKey of 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine?
The InChIKey is IKESVOKWRYSWDI-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-6(2)4-10-7-5-12-8(9)11-7/h5-6,10H,3-4H2,1-2H3,(H2,9,11)/t6-/m0/s1.
What are the key properties of 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine?
4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine has a molecular weight of 185.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 56986236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).