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

C13H18N4S — CID 114364758

IUPACN-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccnc(C)n2)nc1C(C)C
InChIInChI=1S/C13H18N4S/c1-8(2)12-11(7-14-4)18-13(17-12)10-5-6-15-9(3)16-10/h5-6,8,14H,7H2,1-4H3
InChIKeyHPHFXUMJRRARNJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.75
Rot. Bonds4

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

N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114364758) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114364758
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccnc(C)n2)nc1C(C)C
InChIInChI=1S/C13H18N4S/c1-8(2)12-11(7-14-4)18-13(17-12)10-5-6-15-9(3)16-10/h5-6,8,14H,7H2,1-4H3
InChIKeyHPHFXUMJRRARNJ-UHFFFAOYSA-N
XLogP2.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364911
N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102952841
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
2-methyl-N-[[2-(6-methyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365821
1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114364727
1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106951184

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114364758) is N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CNCc1sc(-c2ccnc(C)n2)nc1C(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is HPHFXUMJRRARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8(2)12-11(7-14-4)18-13(17-12)10-5-6-15-9(3)16-10/h5-6,8,14H,7H2,1-4H3.
What are the key properties of N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114364758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).