4-butyl-1,3-thiazol-2-amine;toluene

C14H20N2S — CID 174630641

IUPAC4-butyl-1,3-thiazol-2-amine;toluene
SMILESCCCCc1csc(N)n1.Cc1ccccc1
InChIInChI=1S/C7H12N2S.C7H8/c1-2-3-4-6-5-10-7(8)9-6;1-7-5-3-2-4-6-7/h5H,2-4H2,1H3,(H2,8,9);2-6H,1H3
InChIKeyYGGGVLOWHDULMI-UHFFFAOYSA-N
MW248.40 g/mol
LogP4.06
Rot. Bonds3

About 4-butyl-1,3-thiazol-2-amine;toluene

4-butyl-1,3-thiazol-2-amine;toluene (PubChem CID 174630641) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is 4-butyl-1,3-thiazol-2-amine;toluene.

Molecular Properties

Compound Name4-butyl-1,3-thiazol-2-amine;toluene
PubChem CID174630641
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name4-butyl-1,3-thiazol-2-amine;toluene
SMILESCCCCc1csc(N)n1.Cc1ccccc1
InChIInChI=1S/C7H12N2S.C7H8/c1-2-3-4-6-5-10-7(8)9-6;1-7-5-3-2-4-6-7/h5H,2-4H2,1H3,(H2,8,9);2-6H,1H3
InChIKeyYGGGVLOWHDULMI-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
CID 174616600
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483489
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65485245
benzene;heptane;hexane;toluene
CID 160959480
pentane;toluene;dihydrochloride
CID 174930487
bis(heptane);toluene
CID 157306102
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110717936
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61411885

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3-thiazol-2-amine;toluene?
The IUPAC name of 4-butyl-1,3-thiazol-2-amine;toluene (CID 174630641) is 4-butyl-1,3-thiazol-2-amine;toluene.
What is the SMILES notation for 4-butyl-1,3-thiazol-2-amine;toluene?
The canonical SMILES for 4-butyl-1,3-thiazol-2-amine;toluene is CCCCc1csc(N)n1.Cc1ccccc1.
What is the InChIKey of 4-butyl-1,3-thiazol-2-amine;toluene?
The InChIKey is YGGGVLOWHDULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C7H8/c1-2-3-4-6-5-10-7(8)9-6;1-7-5-3-2-4-6-7/h5H,2-4H2,1H3,(H2,8,9);2-6H,1H3.
What are the key properties of 4-butyl-1,3-thiazol-2-amine;toluene?
4-butyl-1,3-thiazol-2-amine;toluene has a molecular weight of 248.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3-thiazol-2-amine;toluene is sourced from PubChem (CID 174630641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).