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

C14H21N3OS2 — CID 103360130

IUPAC5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC(c1cccs1)C(C)C
InChIInChI=1S/C14H21N3OS2/c1-8(2)11(10-6-5-7-19-10)16-14-12(18-9(3)4)13(15)17-20-14/h5-9,11,16H,1-4H3,(H2,15,17)
InChIKeyZINAJYYVXIEGEA-UHFFFAOYSA-N
MW311.48 g/mol
LogP4.38
Rot. Bonds6

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

5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360130) has the molecular formula C14H21N3OS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360130
Molecular FormulaC14H21N3OS2
Molecular Weight311.48 g/mol
Exact Mass311.11
IUPAC Name5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC(c1cccs1)C(C)C
InChIInChI=1S/C14H21N3OS2/c1-8(2)11(10-6-5-7-19-10)16-14-12(18-9(3)4)13(15)17-20-14/h5-9,11,16H,1-4H3,(H2,15,17)
InChIKeyZINAJYYVXIEGEA-UHFFFAOYSA-N
XLogP4.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103360127
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360124
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
5-N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360050
5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360985
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
CID 114070560
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360130) is 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NC(c1cccs1)C(C)C.
What is the InChIKey of 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is ZINAJYYVXIEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS2/c1-8(2)11(10-6-5-7-19-10)16-14-12(18-9(3)4)13(15)17-20-14/h5-9,11,16H,1-4H3,(H2,15,17).
What are the key properties of 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 311.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).