4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C15H21ClN2OS — CID 106351140

IUPAC4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(NC2=NC(C(C)(C)C)CCS2)cc1Cl
InChIInChI=1S/C15H21ClN2OS/c1-15(2,3)13-7-8-20-14(18-13)17-10-5-6-12(19-4)11(16)9-10/h5-6,9,13H,7-8H2,1-4H3,(H,17,18)
InChIKeyRVQVTJXTUNDRRS-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.67
Rot. Bonds2

About 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351140) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351140
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(NC2=NC(C(C)(C)C)CCS2)cc1Cl
InChIInChI=1S/C15H21ClN2OS/c1-15(2,3)13-7-8-20-14(18-13)17-10-5-6-12(19-4)11(16)9-10/h5-6,9,13H,7-8H2,1-4H3,(H,17,18)
InChIKeyRVQVTJXTUNDRRS-UHFFFAOYSA-N
XLogP4.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351909
N-(3-chloro-4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362626
4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351264
N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352291
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-chlorobenzonitrile
CID 106352353
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523628
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120
N-(4-chloro-3-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363834
N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188652
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351140) is 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(NC2=NC(C(C)(C)C)CCS2)cc1Cl.
What is the InChIKey of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RVQVTJXTUNDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-15(2,3)13-7-8-20-14(18-13)17-10-5-6-12(19-4)11(16)9-10/h5-6,9,13H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 312.87 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).