2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide

C16H22N4O2S2 — CID 325516

IUPAC2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide
SMILESCCCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C
InChIInChI=1S/C16H22N4O2S2/c1-3-4-5-7-18-15(22)12-9-24-16(20-12)13-10-23-14(19-13)6-8-17-11(2)21/h9-10H,3-8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyQVSZSOKCMJLSGN-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.70
Rot. Bonds9

About 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide

2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide (PubChem CID 325516) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide
PubChem CID325516
Molecular FormulaC16H22N4O2S2
Molecular Weight366.50 g/mol
Exact Mass366.12
IUPAC Name2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide
SMILESCCCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C
InChIInChI=1S/C16H22N4O2S2/c1-3-4-5-7-18-15(22)12-9-24-16(20-12)13-10-23-14(19-13)6-8-17-11(2)21/h9-10H,3-8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyQVSZSOKCMJLSGN-UHFFFAOYSA-N
XLogP2.70
TPSA140.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity425

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468927
N-[5-(hydroxyamino)-5-oxopentyl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468928
N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
CID 24856354
N-[(2S)-1-[[4-(hydroxyamino)-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468801
N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468803
N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468805
N-[(2S)-1-[[4-(hydroxyamino)-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468924
US9216962, Cfh456
CID 71468929
US9216962, Cfh470
CID 71468930
(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CID 12115032
(4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CID 72793833
N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide (CID 325516) is 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide is CCCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C.
What is the InChIKey of 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide?
The InChIKey is QVSZSOKCMJLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-3-4-5-7-18-15(22)12-9-24-16(20-12)13-10-23-14(19-13)6-8-17-11(2)21/h9-10H,3-8H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide?
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 325516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).