(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2S — CID 40535430

IUPAC(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC[C@@H]1CSC(N(C)C)=N1
InChIInChI=1S/C9H18N2S/c1-4-5-6-8-7-12-9(10-8)11(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyHKKWJQQLAACQCG-MRVPVSSYSA-N
MW186.32 g/mol
LogP2.21
Rot. Bonds3

About (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 40535430) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID40535430
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC[C@@H]1CSC(N(C)C)=N1
InChIInChI=1S/C9H18N2S/c1-4-5-6-8-7-12-9(10-8)11(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyHKKWJQQLAACQCG-MRVPVSSYSA-N
XLogP2.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 40535430) is (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC[C@@H]1CSC(N(C)C)=N1.
What is the InChIKey of (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HKKWJQQLAACQCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-4-5-6-8-7-12-9(10-8)11(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 40535430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).