N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide

C15H14Cl2N2OS3 — CID 112810438

IUPACN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CSCCS1
InChIInChI=1S/C15H14Cl2N2OS3/c16-11-3-1-2-9(13(11)17)6-10-7-18-15(23-10)19-14(20)12-8-21-4-5-22-12/h1-3,7,12H,4-6,8H2,(H,18,19,20)
InChIKeyXLYZVPKDKWVDTH-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.83
Rot. Bonds4

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide (PubChem CID 112810438) has the molecular formula C15H14Cl2N2OS3 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
PubChem CID112810438
Molecular FormulaC15H14Cl2N2OS3
Molecular Weight405.40 g/mol
Exact Mass403.96
IUPAC NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CSCCS1
InChIInChI=1S/C15H14Cl2N2OS3/c16-11-3-1-2-9(13(11)17)6-10-7-18-15(23-10)19-14(20)12-8-21-4-5-22-12/h1-3,7,12H,4-6,8H2,(H,18,19,20)
InChIKeyXLYZVPKDKWVDTH-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 71894360
(2R)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 99813925
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46588106
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55608214
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 55811278
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827660
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838178

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide (CID 112810438) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CSCCS1.
What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The InChIKey is XLYZVPKDKWVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS3/c16-11-3-1-2-9(13(11)17)6-10-7-18-15(23-10)19-14(20)12-8-21-4-5-22-12/h1-3,7,12H,4-6,8H2,(H,18,19,20).
What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112810438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).