5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine

C17H26N4S — CID 110447585

IUPAC5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(CN(C)C)cc2)c(C(C)CCN)s1
InChIInChI=1S/C17H26N4S/c1-12(9-10-18)16-15(20-17(19-2)22-16)14-7-5-13(6-8-14)11-21(3)4/h5-8,12H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyJNAFPQUASUDSIA-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.37
Rot. Bonds7

About 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine

5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 110447585) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID110447585
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(CN(C)C)cc2)c(C(C)CCN)s1
InChIInChI=1S/C17H26N4S/c1-12(9-10-18)16-15(20-17(19-2)22-16)14-7-5-13(6-8-14)11-21(3)4/h5-8,12H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyJNAFPQUASUDSIA-UHFFFAOYSA-N
XLogP3.37
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine (CID 110447585) is 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(CN(C)C)cc2)c(C(C)CCN)s1.
What is the InChIKey of 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JNAFPQUASUDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-12(9-10-18)16-15(20-17(19-2)22-16)14-7-5-13(6-8-14)11-21(3)4/h5-8,12H,9-11,18H2,1-4H3,(H,19,20).
What are the key properties of 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 318.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-4-[4-[(dimethylamino)methyl]phenyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110447585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).