N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C18H26N4OS — CID 39084315

IUPACN-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1sc(-c2ccncc2)nc1C
InChIInChI=1S/C18H26N4OS/c1-4-22(5-2)13-7-6-10-20-17(23)16-14(3)21-18(24-16)15-8-11-19-12-9-15/h8-9,11-12H,4-7,10,13H2,1-3H3,(H,20,23)
InChIKeyJVNIHMZOLOOILX-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.37
Rot. Bonds9

About N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 39084315) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID39084315
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1sc(-c2ccncc2)nc1C
InChIInChI=1S/C18H26N4OS/c1-4-22(5-2)13-7-6-10-20-17(23)16-14(3)21-18(24-16)15-8-11-19-12-9-15/h8-9,11-12H,4-7,10,13H2,1-3H3,(H,20,23)
InChIKeyJVNIHMZOLOOILX-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
4-methyl-N-(2-morpholin-4-ylethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084285
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 166188297
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 39084315) is N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CCN(CC)CCCCNC(=O)c1sc(-c2ccncc2)nc1C.
What is the InChIKey of N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JVNIHMZOLOOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-4-22(5-2)13-7-6-10-20-17(23)16-14(3)21-18(24-16)15-8-11-19-12-9-15/h8-9,11-12H,4-7,10,13H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39084315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).