N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C14H21N3S — CID 103527684

IUPACN-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCCn1ccc(CNCC(C)c2nccs2)c1
InChIInChI=1S/C14H21N3S/c1-3-6-17-7-4-13(11-17)10-15-9-12(2)14-16-5-8-18-14/h4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3
InChIKeyUCFIEIFKJYHSSQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.25
Rot. Bonds7

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

N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 103527684) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID103527684
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCCn1ccc(CNCC(C)c2nccs2)c1
InChIInChI=1S/C14H21N3S/c1-3-6-17-7-4-13(11-17)10-15-9-12(2)14-16-5-8-18-14/h4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3
InChIKeyUCFIEIFKJYHSSQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 66399253

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 103527684) is N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CCCn1ccc(CNCC(C)c2nccs2)c1.
What is the InChIKey of N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is UCFIEIFKJYHSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-6-17-7-4-13(11-17)10-15-9-12(2)14-16-5-8-18-14/h4-5,7-8,11-12,15H,3,6,9-10H2,1-2H3.
What are the key properties of N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 103527684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).