4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine

C11H17N3S2 — CID 136948814

IUPAC4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1ncsc1C/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C11H17N3S2/c1-7-5-15-11(14-8(7)2)12-4-10-9(3)13-6-16-10/h6-8H,4-5H2,1-3H3,(H,12,14)
InChIKeyHUWRPIMWASCKPQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.67
Rot. Bonds2

About 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine

4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136948814) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136948814
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1ncsc1C/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C11H17N3S2/c1-7-5-15-11(14-8(7)2)12-4-10-9(3)13-6-16-10/h6-8H,4-5H2,1-3H3,(H,12,14)
InChIKeyHUWRPIMWASCKPQ-UHFFFAOYSA-N
XLogP2.67
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
4,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
CID 137002762
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
CID 136948792
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 63279843
4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 130167048
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
CID 103062804
2,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 64761923
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107069286
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 64742874
5-(2-azidoethyl)-4-methyl-1,3-thiazole
CID 54670922

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine (CID 136948814) is 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine is Cc1ncsc1C/N=C1/NC(C)C(C)CS1.
What is the InChIKey of 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is HUWRPIMWASCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-7-5-15-11(14-8(7)2)12-4-10-9(3)13-6-16-10/h6-8H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 255.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).