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

C9H18N2S — CID 4095609

IUPAC4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCC1CSC(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
InChIKeyHKKWJQQLAACQCG-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.21
Rot. Bonds3

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

4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 4095609) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID4095609
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCC1CSC(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
InChIKeyHKKWJQQLAACQCG-UHFFFAOYSA-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 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 4095609) is 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCC1CSC(N(C)C)=N1.
What is the InChIKey of 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HKKWJQQLAACQCG-UHFFFAOYSA-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.
What are the key properties of 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
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 4-butyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 4095609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).