N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine

C15H20N2S2 — CID 66356441

IUPACN-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2S2/c1-11(2)15-17-13(10-19-15)9-18-14-6-4-5-12(7-14)8-16-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyHRZXNNLUMIFQLQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.28
Rot. Bonds6

About N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine

N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine (PubChem CID 66356441) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
PubChem CID66356441
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2S2/c1-11(2)15-17-13(10-19-15)9-18-14-6-4-5-12(7-14)8-16-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyHRZXNNLUMIFQLQ-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine (CID 66356441) is N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine is CNCc1cccc(SCc2csc(C(C)C)n2)c1.
What is the InChIKey of N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
The InChIKey is HRZXNNLUMIFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-11(2)15-17-13(10-19-15)9-18-14-6-4-5-12(7-14)8-16-3/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine has a molecular weight of 292.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 66356441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).