4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide

C14H24N4OS2 — CID 116672887

IUPAC4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCC2CCSCC2)s1
InChIInChI=1S/C14H24N4OS2/c1-3-18(4-2)14-17-12(15)11(21-14)13(19)16-9-10-5-7-20-8-6-10/h10H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyKAOSHOKAVBXVRJ-UHFFFAOYSA-N
MW328.51 g/mol
LogP2.44
Rot. Bonds6

About 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672887) has the molecular formula C14H24N4OS2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116672887
Molecular FormulaC14H24N4OS2
Molecular Weight328.51 g/mol
Exact Mass328.14
IUPAC Name4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCC2CCSCC2)s1
InChIInChI=1S/C14H24N4OS2/c1-3-18(4-2)14-17-12(15)11(21-14)13(19)16-9-10-5-7-20-8-6-10/h10H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyKAOSHOKAVBXVRJ-UHFFFAOYSA-N
XLogP2.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-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-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116671370
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116666579
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-2-[methyl(propyl)amino]-N-(oxan-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116666332
2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 113487603
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-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
CID 116670476
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116672887) is 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NCC2CCSCC2)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KAOSHOKAVBXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS2/c1-3-18(4-2)14-17-12(15)11(21-14)13(19)16-9-10-5-7-20-8-6-10/h10H,3-9,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).