4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine

C10H19N3S — CID 103359580

IUPAC4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)C(C)Nc1snc(N)c1C
InChIInChI=1S/C10H19N3S/c1-5-6(2)8(4)12-10-7(3)9(11)13-14-10/h6,8,12H,5H2,1-4H3,(H2,11,13)
InChIKeyCGAVNRFWLARGIN-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.88
Rot. Bonds4

About 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine

4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359580) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359580
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)C(C)Nc1snc(N)c1C
InChIInChI=1S/C10H19N3S/c1-5-6(2)8(4)12-10-7(3)9(11)13-14-10/h6,8,12H,5H2,1-4H3,(H2,11,13)
InChIKeyCGAVNRFWLARGIN-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine (CID 103359580) is 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine is CCC(C)C(C)Nc1snc(N)c1C.
What is the InChIKey of 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is CGAVNRFWLARGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-6(2)8(4)12-10-7(3)9(11)13-14-10/h6,8,12H,5H2,1-4H3,(H2,11,13).
What are the key properties of 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).