N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C18H18Cl2N4S — CID 9058995

IUPACN-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C18H18Cl2N4S/c1-12(23-24-15-7-8-16(19)17(20)11-15)13-3-5-14(6-4-13)22-18-21-9-2-10-25-18/h3-8,11,24H,2,9-10H2,1H3,(H,21,22)/b23-12-
InChIKeyYULCPKLPLHNHMA-FMCGGJTJSA-N
MW393.34 g/mol
LogP5.73
Rot. Bonds4

About N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 9058995) has the molecular formula C18H18Cl2N4S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID9058995
Molecular FormulaC18H18Cl2N4S
Molecular Weight393.34 g/mol
Exact Mass392.06
IUPAC NameN-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C18H18Cl2N4S/c1-12(23-24-15-7-8-16(19)17(20)11-15)13-3-5-14(6-4-13)22-18-21-9-2-10-25-18/h3-8,11,24H,2,9-10H2,1H3,(H,21,22)/b23-12-
InChIKeyYULCPKLPLHNHMA-FMCGGJTJSA-N
XLogP5.73
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.34
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate
CID 9076079
N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 9016056
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
CID 9058961
N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068137
N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
(E)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-3-(2,4-dimethylphenyl)prop-2-en-1-one
CID 8685723
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659
(E)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 7954448
3-(4-tert-butylphenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one
CID 3645010
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
CID 7416836

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 9058995) is N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is C/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YULCPKLPLHNHMA-FMCGGJTJSA-N. The full InChI is InChI=1S/C18H18Cl2N4S/c1-12(23-24-15-7-8-16(19)17(20)11-15)13-3-5-14(6-4-13)22-18-21-9-2-10-25-18/h3-8,11,24H,2,9-10H2,1H3,(H,21,22)/b23-12-.
What are the key properties of N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 393.34 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 9058995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).