4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride

C12H18ClN3S — CID 174616600

IUPAC4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
SMILESCCCCc1csc(N)n1.Cl.c1ccncc1
InChIInChI=1S/C7H12N2S.C5H5N.ClH/c1-2-3-4-6-5-10-7(8)9-6;1-2-4-6-5-3-1;/h5H,2-4H2,1H3,(H2,8,9);1-5H;1H
InChIKeyLLCVKQHHAMSHQI-UHFFFAOYSA-N
MW271.82 g/mol
LogP3.57
Rot. Bonds3

About 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride

4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride (PubChem CID 174616600) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride.

Molecular Properties

Compound Name4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
PubChem CID174616600
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
SMILESCCCCc1csc(N)n1.Cl.c1ccncc1
InChIInChI=1S/C7H12N2S.C5H5N.ClH/c1-2-3-4-6-5-10-7(8)9-6;1-2-4-6-5-3-1;/h5H,2-4H2,1H3,(H2,8,9);1-5H;1H
InChIKeyLLCVKQHHAMSHQI-UHFFFAOYSA-N
XLogP3.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
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-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65485245
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242
4-(2-butoxyethoxymethyl)-1,3-thiazol-2-amine
CID 43137916
4-[2-(4-propylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484061
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 54244678

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride?
The IUPAC name of 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride (CID 174616600) is 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride.
What is the SMILES notation for 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride?
The canonical SMILES for 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride is CCCCc1csc(N)n1.Cl.c1ccncc1.
What is the InChIKey of 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride?
The InChIKey is LLCVKQHHAMSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C5H5N.ClH/c1-2-3-4-6-5-10-7(8)9-6;1-2-4-6-5-3-1;/h5H,2-4H2,1H3,(H2,8,9);1-5H;1H.
What are the key properties of 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride?
4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride has a molecular weight of 271.82 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride is sourced from PubChem (CID 174616600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).