N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide

C18H26N4OS — CID 3911323

IUPACN-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1csc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C18H26N4OS/c1-5-22(6-2)10-9-19-17(23)16-12-24-18(21-16)20-15-8-7-13(3)14(4)11-15/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyIVDHUPCUOXCBSH-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.58
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 3911323) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
PubChem CID3911323
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1csc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C18H26N4OS/c1-5-22(6-2)10-9-19-17(23)16-12-24-18(21-16)20-15-8-7-13(3)14(4)11-15/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyIVDHUPCUOXCBSH-UHFFFAOYSA-N
XLogP3.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium
CID 7320615
2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide (CID 3911323) is N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide is CCN(CC)CCNC(=O)c1csc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is IVDHUPCUOXCBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-22(6-2)10-9-19-17(23)16-12-24-18(21-16)20-15-8-7-13(3)14(4)11-15/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3911323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).