4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

C14H25N3S2 — CID 112666494

IUPAC4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CSC)N(C)c1nc(C2CC2)c(CNC)s1
InChIInChI=1S/C14H25N3S2/c1-5-11(9-18-4)17(3)14-16-13(10-6-7-10)12(19-14)8-15-2/h10-11,15H,5-9H2,1-4H3
InChIKeyAREHUHOPWOQKAV-UHFFFAOYSA-N
MW299.51 g/mol
LogP3.32
Rot. Bonds8

About 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 112666494) has the molecular formula C14H25N3S2 and a molecular weight of 299.51 g/mol. Its IUPAC name is 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID112666494
Molecular FormulaC14H25N3S2
Molecular Weight299.51 g/mol
Exact Mass299.15
IUPAC Name4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CSC)N(C)c1nc(C2CC2)c(CNC)s1
InChIInChI=1S/C14H25N3S2/c1-5-11(9-18-4)17(3)14-16-13(10-6-7-10)12(19-14)8-15-2/h10-11,15H,5-9H2,1-4H3
InChIKeyAREHUHOPWOQKAV-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (CID 112666494) is 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is CCC(CSC)N(C)c1nc(C2CC2)c(CNC)s1.
What is the InChIKey of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is AREHUHOPWOQKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S2/c1-5-11(9-18-4)17(3)14-16-13(10-6-7-10)12(19-14)8-15-2/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 299.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112666494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).