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

C12H19N3S2 — CID 136993437

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1cnc(C/N=C2/NC(C(C)C)CCS2)s1
InChIInChI=1S/C12H19N3S2/c1-8(2)10-4-5-16-12(15-10)14-7-11-13-6-9(3)17-11/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyAOEOGERSSKOKHN-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.06
Rot. Bonds3

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993437) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993437
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1cnc(C/N=C2/NC(C(C)C)CCS2)s1
InChIInChI=1S/C12H19N3S2/c1-8(2)10-4-5-16-12(15-10)14-7-11-13-6-9(3)17-11/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyAOEOGERSSKOKHN-UHFFFAOYSA-N
XLogP3.06
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine with MolForge

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993355
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 103696917
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993382

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993437) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is Cc1cnc(C/N=C2/NC(C(C)C)CCS2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is AOEOGERSSKOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-8(2)10-4-5-16-12(15-10)14-7-11-13-6-9(3)17-11/h6,8,10H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 269.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).