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

C11H15N3S — CID 104513360

IUPACN-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCNCC(C)c1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H15N3S/c1-8(6-12-2)11-14-10(7-15-11)9-4-3-5-13-9/h3-5,7-8,12-13H,6H2,1-2H3
InChIKeySXLNQCGGMYWMFB-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.46
Rot. Bonds4

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

N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 104513360) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID104513360
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCNCC(C)c1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H15N3S/c1-8(6-12-2)11-14-10(7-15-11)9-4-3-5-13-9/h3-5,7-8,12-13H,6H2,1-2H3
InChIKeySXLNQCGGMYWMFB-UHFFFAOYSA-N
XLogP2.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 104513426
3-methyl-2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969683
2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 104513350
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 114080620
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969749
N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
CID 137013305
N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine
CID 116896598
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole
CID 17423714
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965645
2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine
CID 102625968
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine (CID 104513360) is N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine is CNCC(C)c1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is SXLNQCGGMYWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8(6-12-2)11-14-10(7-15-11)9-4-3-5-13-9/h3-5,7-8,12-13H,6H2,1-2H3.
What are the key properties of N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 104513360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).