N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine

C17H33N3S — CID 79489079

IUPACN-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CC(C)C)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C17H33N3S/c1-7-15(8-2)20(12-14(5)6)17-19-11-16(21-17)10-18-9-13(3)4/h11,13-15,18H,7-10,12H2,1-6H3
InChIKeyPQZZTZIMRIJFQY-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.54
Rot. Bonds10

About N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine

N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 79489079) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID79489079
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC NameN-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CC(C)C)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C17H33N3S/c1-7-15(8-2)20(12-14(5)6)17-19-11-16(21-17)10-18-9-13(3)4/h11,13-15,18H,7-10,12H2,1-6H3
InChIKeyPQZZTZIMRIJFQY-UHFFFAOYSA-N
XLogP4.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine (CID 79489079) is N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(CC(C)C)c1ncc(CNCC(C)C)s1.
What is the InChIKey of N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is PQZZTZIMRIJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-7-15(8-2)20(12-14(5)6)17-19-11-16(21-17)10-18-9-13(3)4/h11,13-15,18H,7-10,12H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79489079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).