4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine

C15H29N3S2 — CID 115988003

IUPAC4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)CSC)nc1C(C)CC
InChIInChI=1S/C15H29N3S2/c1-7-11(3)14-13(9-16-8-2)20-15(17-14)18(5)12(4)10-19-6/h11-12,16H,7-10H2,1-6H3
InChIKeyUHPJIFYXXHYKES-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.95
Rot. Bonds9

About 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine

4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 115988003) has the molecular formula C15H29N3S2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
PubChem CID115988003
Molecular FormulaC15H29N3S2
Molecular Weight315.55 g/mol
Exact Mass315.18
IUPAC Name4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)CSC)nc1C(C)CC
InChIInChI=1S/C15H29N3S2/c1-7-11(3)14-13(9-16-8-2)20-15(17-14)18(5)12(4)10-19-6/h11-12,16H,7-10H2,1-6H3
InChIKeyUHPJIFYXXHYKES-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine (CID 115988003) is 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)C(C)CSC)nc1C(C)CC.
What is the InChIKey of 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UHPJIFYXXHYKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S2/c1-7-11(3)14-13(9-16-8-2)20-15(17-14)18(5)12(4)10-19-6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 315.55 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115988003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).