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

C9H16N2S — CID 82433530

IUPACN-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
SMILESCNCc1sc(C)nc1C(C)C
InChIInChI=1S/C9H16N2S/c1-6(2)9-8(5-10-4)12-7(3)11-9/h6,10H,5H2,1-4H3
InChIKeyCNFQCWBDAZYMNR-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.29
Rot. Bonds3

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

N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 82433530) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
PubChem CID82433530
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
SMILESCNCc1sc(C)nc1C(C)C
InChIInChI=1S/C9H16N2S/c1-6(2)9-8(5-10-4)12-7(3)11-9/h6,10H,5H2,1-4H3
InChIKeyCNFQCWBDAZYMNR-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 23560686
N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82433538
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
1-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82435165
N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395051
1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114364758
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114364727
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
CID 79396156
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine (CID 82433530) is N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine is CNCc1sc(C)nc1C(C)C.
What is the InChIKey of N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is CNFQCWBDAZYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(2)9-8(5-10-4)12-7(3)11-9/h6,10H,5H2,1-4H3.
What are the key properties of N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 184.31 g/mol, XLogP of 2.29, 3 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-4-propan-2-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 82433530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).