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

C13H21N3S2 — CID 106352465

IUPAC4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NC(C)(C)c2nccs2)=N1
InChIInChI=1S/C13H21N3S2/c1-9(2)10-5-7-18-12(15-10)16-13(3,4)11-14-6-8-17-11/h6,8-10H,5,7H2,1-4H3,(H,15,16)
InChIKeyYBAPMJWJJRBORL-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.49
Rot. Bonds3

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

4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352465) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352465
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NC(C)(C)c2nccs2)=N1
InChIInChI=1S/C13H21N3S2/c1-9(2)10-5-7-18-12(15-10)16-13(3,4)11-14-6-8-17-11/h6,8-10H,5,7H2,1-4H3,(H,15,16)
InChIKeyYBAPMJWJJRBORL-UHFFFAOYSA-N
XLogP3.49
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352465) is 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(NC(C)(C)c2nccs2)=N1.
What is the InChIKey of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YBAPMJWJJRBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-9(2)10-5-7-18-12(15-10)16-13(3,4)11-14-6-8-17-11/h6,8-10H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 283.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).