N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine

C13H23N3S — CID 78993846

IUPACN-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCNCc1csc(N(CCC(C)C)C2CC2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)6-7-16(12-4-5-12)13-15-11(8-14-3)9-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyXHMWPYPNEHZVFL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds7

About N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine

N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 78993846) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID78993846
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCNCc1csc(N(CCC(C)C)C2CC2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)6-7-16(12-4-5-12)13-15-11(8-14-3)9-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyXHMWPYPNEHZVFL-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 78993846) is N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine is CNCc1csc(N(CCC(C)C)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is XHMWPYPNEHZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)6-7-16(12-4-5-12)13-15-11(8-14-3)9-17-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 78993846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).