N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H21ClN2OS — CID 17338382

IUPACN-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(CN(CC2CCCO2)C2=NCCCS2)cc1
InChIInChI=1S/C16H21ClN2OS/c17-14-6-4-13(5-7-14)11-19(12-15-3-1-9-20-15)16-18-8-2-10-21-16/h4-7,15H,1-3,8-12H2
InChIKeyPWKGNUZYRYWWDS-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.81
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338382) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338382
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(CN(CC2CCCO2)C2=NCCCS2)cc1
InChIInChI=1S/C16H21ClN2OS/c17-14-6-4-13(5-7-14)11-19(12-15-3-1-9-20-15)16-18-8-2-10-21-16/h4-7,15H,1-3,8-12H2
InChIKeyPWKGNUZYRYWWDS-UHFFFAOYSA-N
XLogP3.81
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338501
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338392
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338517
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
1-[(4-chlorophenyl)methyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8786019
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45193579
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7140997

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338382) is N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Clc1ccc(CN(CC2CCCO2)C2=NCCCS2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is PWKGNUZYRYWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-14-6-4-13(5-7-14)11-19(12-15-3-1-9-20-15)16-18-8-2-10-21-16/h4-7,15H,1-3,8-12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 324.88 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).