5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C12H23N3OS — CID 103362501

IUPAC5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCN(CC(C)C)c1snc(N)c1OC(C)C
InChIInChI=1S/C12H23N3OS/c1-6-15(7-8(2)3)12-10(16-9(4)5)11(13)14-17-12/h8-9H,6-7H2,1-5H3,(H2,13,14)
InChIKeyBNAMATMQMVBMMY-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.99
Rot. Bonds6

About 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103362501) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103362501
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCN(CC(C)C)c1snc(N)c1OC(C)C
InChIInChI=1S/C12H23N3OS/c1-6-15(7-8(2)3)12-10(16-9(4)5)11(13)14-17-12/h8-9H,6-7H2,1-5H3,(H2,13,14)
InChIKeyBNAMATMQMVBMMY-UHFFFAOYSA-N
XLogP2.99
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,5-N-bis(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360688
5-N-(2-methoxyethyl)-5-N-methyl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361756
5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361569
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
5-N-(2-methoxyethyl)-5-N-propan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364962
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
CID 103361441
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360124
5-N-(2-methoxyethyl)-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103360763
5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361356
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361936

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103362501) is 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CCN(CC(C)C)c1snc(N)c1OC(C)C.
What is the InChIKey of 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is BNAMATMQMVBMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-6-15(7-8(2)3)12-10(16-9(4)5)11(13)14-17-12/h8-9H,6-7H2,1-5H3,(H2,13,14).
What are the key properties of 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 257.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).