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

C12H16N4S — CID 115528167

IUPACN-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccnc(C)n2)s1
InChIInChI=1S/C12H16N4S/c1-3-5-13-7-10-8-15-12(17-10)11-4-6-14-9(2)16-11/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyFTEFSHKJRKVJFE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.41
Rot. Bonds5

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

N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 115528167) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID115528167
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccnc(C)n2)s1
InChIInChI=1S/C12H16N4S/c1-3-5-13-7-10-8-15-12(17-10)11-4-6-14-9(2)16-11/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyFTEFSHKJRKVJFE-UHFFFAOYSA-N
XLogP2.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282727
N-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 113329269
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N-[[2-(2-bromophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 54979700
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
N-[[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61281741
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61281957
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65096062
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 115528167) is N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-c2ccnc(C)n2)s1.
What is the InChIKey of N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FTEFSHKJRKVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-5-13-7-10-8-15-12(17-10)11-4-6-14-9(2)16-11/h4,6,8,13H,3,5,7H2,1-2H3.
What are the key properties of N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 115528167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).