4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide

C14H22N4OS — CID 106215829

IUPAC4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCCCCNC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C14H22N4OS/c1-4-7-8-9-10-16-13(19)11-12(15)17-14(20-11)18(5-2)6-3/h1H,5-10,15H2,2-3H3,(H,16,19)
InChIKeyXUMONBGAMAKDDQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.10
Rot. Bonds8

About 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide (PubChem CID 106215829) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
PubChem CID106215829
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCCCCNC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C14H22N4OS/c1-4-7-8-9-10-16-13(19)11-12(15)17-14(20-11)18(5-2)6-3/h1H,5-10,15H2,2-3H3,(H,16,19)
InChIKeyXUMONBGAMAKDDQ-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
CID 116666618
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116663589
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide (CID 106215829) is 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide is C#CCCCCNC(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide?
The InChIKey is XUMONBGAMAKDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-7-8-9-10-16-13(19)11-12(15)17-14(20-11)18(5-2)6-3/h1H,5-10,15H2,2-3H3,(H,16,19).
What are the key properties of 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106215829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).