(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

C18H18ClN5S2 — CID 144610258

IUPAC(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
SMILESCN1SC[C@@](C)(c2sc(-c3ncc(-c4ccccc4)[nH]3)cc2Cl)N=C1N
InChIInChI=1S/C18H18ClN5S2/c1-18(10-25-24(2)17(20)23-18)15-12(19)8-14(26-15)16-21-9-13(22-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
InChIKeyRYCWKTRULMLZAI-SFHVURJKSA-N
MW403.96 g/mol
LogP4.58
Rot. Bonds3

About (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine (PubChem CID 144610258) has the molecular formula C18H18ClN5S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
PubChem CID144610258
Molecular FormulaC18H18ClN5S2
Molecular Weight403.96 g/mol
Exact Mass403.07
IUPAC Name(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
SMILESCN1SC[C@@](C)(c2sc(-c3ncc(-c4ccccc4)[nH]3)cc2Cl)N=C1N
InChIInChI=1S/C18H18ClN5S2/c1-18(10-25-24(2)17(20)23-18)15-12(19)8-14(26-15)16-21-9-13(22-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
InChIKeyRYCWKTRULMLZAI-SFHVURJKSA-N
XLogP4.58
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-chloro-5-(5-phenyl-1H-pyrrol-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123332386
2-(3,4-dichlorophenyl)-5-phenyl-1H-imidazole
CID 23103021
(5S)-5-[3-chloro-5-(7-chloro-1H-indol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 157430745
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105
(5S)-5-[3-chloro-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 118406552
5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 123883866
(5S)-5-[3-chloro-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134480688
(5S)-5-[3-chloro-5-[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 160609720
(5S)-5-[3-chloro-5-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 162244481
5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
CID 174633660
3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline
CID 61394643
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine (CID 144610258) is (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine is CN1SC[C@@](C)(c2sc(-c3ncc(-c4ccccc4)[nH]3)cc2Cl)N=C1N.
What is the InChIKey of (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is RYCWKTRULMLZAI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18ClN5S2/c1-18(10-25-24(2)17(20)23-18)15-12(19)8-14(26-15)16-21-9-13(22-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1.
What are the key properties of (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
(5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 403.96 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-chloro-5-(5-phenyl-1H-imidazol-2-yl)thiophen-2-yl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 144610258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).