N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine

C10H18N2S — CID 105125168

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
SMILESCCCCC(NC)c1csc(C)n1
InChIInChI=1S/C10H18N2S/c1-4-5-6-9(11-3)10-7-13-8(2)12-10/h7,9,11H,4-6H2,1-3H3
InChIKeyYBGQDPGBJSMPIF-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine (PubChem CID 105125168) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
PubChem CID105125168
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
SMILESCCCCC(NC)c1csc(C)n1
InChIInChI=1S/C10H18N2S/c1-4-5-6-9(11-3)10-7-13-8(2)12-10/h7,9,11H,4-6H2,1-3H3
InChIKeyYBGQDPGBJSMPIF-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 114984071
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
CID 61330560
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
2-cyclohexyl-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105135487
2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105151834
N-methyl-1-(5-methylpyrazin-2-yl)pentan-1-amine
CID 105125302
3-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-1-amine
CID 105176678

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine (CID 105125168) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine is CCCCC(NC)c1csc(C)n1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
The InChIKey is YBGQDPGBJSMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-6-9(11-3)10-7-13-8(2)12-10/h7,9,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105125168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).