4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine

C11H21N3OS — CID 103360878

IUPAC4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
SMILESCCCC(CC)Nc1snc(N)c1OCC
InChIInChI=1S/C11H21N3OS/c1-4-7-8(5-2)13-11-9(15-6-3)10(12)14-16-11/h8,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyKHFHPTJYFIAXQN-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.11
Rot. Bonds7

About 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360878) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103360878
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
SMILESCCCC(CC)Nc1snc(N)c1OCC
InChIInChI=1S/C11H21N3OS/c1-4-7-8(5-2)13-11-9(15-6-3)10(12)14-16-11/h8,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyKHFHPTJYFIAXQN-UHFFFAOYSA-N
XLogP3.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-5-N-octan-2-yl-1,2-thiazole-3,5-diamine
CID 103360011
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365604
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
CID 103382876
5-N-hexan-3-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349107
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide
CID 103365089
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103359367
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360909
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine (CID 103360878) is 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine is CCCC(CC)Nc1snc(N)c1OCC.
What is the InChIKey of 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is KHFHPTJYFIAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-7-8(5-2)13-11-9(15-6-3)10(12)14-16-11/h8,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 243.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).