N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine

C16H23N3S — CID 79771567

IUPACN-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)c2ccc(C)cc2C)s1
InChIInChI=1S/C16H23N3S/c1-5-8-17-16-18-10-14(20-16)11-19(4)15-7-6-12(2)9-13(15)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18)
InChIKeyAZHYTLBRZVKLCX-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.22
Rot. Bonds6

About N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine

N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 79771567) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID79771567
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)c2ccc(C)cc2C)s1
InChIInChI=1S/C16H23N3S/c1-5-8-17-16-18-10-14(20-16)11-19(4)15-7-6-12(2)9-13(15)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18)
InChIKeyAZHYTLBRZVKLCX-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine (CID 79771567) is N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine is CCCNc1ncc(CN(C)c2ccc(C)cc2C)s1.
What is the InChIKey of N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is AZHYTLBRZVKLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-8-17-16-18-10-14(20-16)11-19(4)15-7-6-12(2)9-13(15)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18).
What are the key properties of N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).