4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H19N3S2 — CID 113484320

IUPAC4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(NC1=NC(C)C(C)CS1)c1nccs1
InChIInChI=1S/C12H19N3S2/c1-4-10(11-13-5-6-16-11)15-12-14-9(3)8(2)7-17-12/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)
InChIKeyDVPGCDKZMLYJQA-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.31
Rot. Bonds3

About 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113484320) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113484320
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(NC1=NC(C)C(C)CS1)c1nccs1
InChIInChI=1S/C12H19N3S2/c1-4-10(11-13-5-6-16-11)15-12-14-9(3)8(2)7-17-12/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)
InChIKeyDVPGCDKZMLYJQA-UHFFFAOYSA-N
XLogP3.31
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 97196496
1-cyclopentyl-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574988
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80845214
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
CID 167774575
3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 80509803
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113484320) is 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC(NC1=NC(C)C(C)CS1)c1nccs1.
What is the InChIKey of 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DVPGCDKZMLYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-4-10(11-13-5-6-16-11)15-12-14-9(3)8(2)7-17-12/h5-6,8-10H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 269.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113484320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).