N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine

C9H16N2S — CID 62402846

IUPACN-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine
SMILESCCCc1nc(C)c(CNC)s1
InChIInChI=1S/C9H16N2S/c1-4-5-9-11-7(2)8(12-9)6-10-3/h10H,4-6H2,1-3H3
InChIKeyJYHFYPHSPOGSBL-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.12
Rot. Bonds4

About N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine

N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine (PubChem CID 62402846) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine
PubChem CID62402846
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine
SMILESCCCc1nc(C)c(CNC)s1
InChIInChI=1S/C9H16N2S/c1-4-5-9-11-7(2)8(12-9)6-10-3/h10H,4-6H2,1-3H3
InChIKeyJYHFYPHSPOGSBL-UHFFFAOYSA-N
XLogP2.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine (CID 62402846) is N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine is CCCc1nc(C)c(CNC)s1.
What is the InChIKey of N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is JYHFYPHSPOGSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-5-9-11-7(2)8(12-9)6-10-3/h10H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine?
N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 184.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 62402846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).