3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide

C21H27N5OS2 — CID 59675614

IUPAC3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)s1
InChIInChI=1S/C21H27N5OS2/c1-13-10-11-16(28-13)17(21(2,3)4)23-19-18(24-29-25-19)22-15-9-7-8-14(12-15)20(27)26(5)6/h7-12,17H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyZNKBDCVVDIYBHU-KRWDZBQOSA-N
MW429.62 g/mol
LogP5.55
Rot. Bonds6

About 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide

3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide (PubChem CID 59675614) has the molecular formula C21H27N5OS2 and a molecular weight of 429.62 g/mol. Its IUPAC name is 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide
PubChem CID59675614
Molecular FormulaC21H27N5OS2
Molecular Weight429.62 g/mol
Exact Mass429.17
IUPAC Name3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)s1
InChIInChI=1S/C21H27N5OS2/c1-13-10-11-16(28-13)17(21(2,3)4)23-19-18(24-29-25-19)22-15-9-7-8-14(12-15)20(27)26(5)6/h7-12,17H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyZNKBDCVVDIYBHU-KRWDZBQOSA-N
XLogP5.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.62
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide 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

[3-[[4-[[2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 136644544
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43725374
3-[[4-[2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-N,N-dimethylbenzamide
CID 173490683
3-[[4-(2,2-dimethyl-1-phenylpropyl)imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-N,N-dimethylbenzamide
CID 173479441
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
N,N-dimethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 43725466
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
CID 60593198
2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
CID 58735826

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide (CID 59675614) is 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide is Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)s1.
What is the InChIKey of 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZNKBDCVVDIYBHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N5OS2/c1-13-10-11-16(28-13)17(21(2,3)4)23-19-18(24-29-25-19)22-15-9-7-8-14(12-15)20(27)26(5)6/h7-12,17H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide?
3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 429.62 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 59675614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).