2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine

C8H11N3S — CID 130767497

IUPAC2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine
SMILESC#CCN(CC)c1ncc(N)s1
InChIInChI=1S/C8H11N3S/c1-3-5-11(4-2)8-10-6-7(9)12-8/h1,6H,4-5,9H2,2H3
InChIKeyCCNGEAAAVOFXCZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.18
Rot. Bonds3

About 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine

2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine (PubChem CID 130767497) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine
PubChem CID130767497
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine
SMILESC#CCN(CC)c1ncc(N)s1
InChIInChI=1S/C8H11N3S/c1-3-5-11(4-2)8-10-6-7(9)12-8/h1,6H,4-5,9H2,2H3
InChIKeyCCNGEAAAVOFXCZ-UHFFFAOYSA-N
XLogP1.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol
CID 69335060
5-bromo-4-N-ethyl-4-N-prop-2-ynylpyridine-3,4-diamine
CID 130847903
2-N-ethyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 116797171
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
CID 102768070
2-N-cyclopropyl-2-N-propyl-1,3-thiazole-2,5-diamine
CID 102767554
2-N-propan-2-yl-2-N-propyl-1,3-thiazole-2,5-diamine
CID 102767553
2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102768170
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 102767997
3-[2-(diethylamino)-1,3-thiazol-5-yl]prop-2-enenitrile
CID 76915991
2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102768803

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine (CID 130767497) is 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine is C#CCN(CC)c1ncc(N)s1.
What is the InChIKey of 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine?
The InChIKey is CCNGEAAAVOFXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-3-5-11(4-2)8-10-6-7(9)12-8/h1,6H,4-5,9H2,2H3.
What are the key properties of 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine?
2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine has a molecular weight of 181.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-prop-2-ynyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 130767497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).