N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine

C14H21N3S — CID 112641722

IUPACN-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(Cc2cncs2)c1)C(C)C
InChIInChI=1S/C14H21N3S/c1-4-16-14(11(2)3)12-5-6-17(8-12)9-13-7-15-10-18-13/h5-8,10-11,14,16H,4,9H2,1-3H3
InChIKeyHOQVZXZPGOBWED-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine

N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 112641722) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine
PubChem CID112641722
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(Cc2cncs2)c1)C(C)C
InChIInChI=1S/C14H21N3S/c1-4-16-14(11(2)3)12-5-6-17(8-12)9-13-7-15-10-18-13/h5-8,10-11,14,16H,4,9H2,1-3H3
InChIKeyHOQVZXZPGOBWED-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79108130
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108960
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097640
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
1-[1-(cyclopentylmethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79097227
N-ethyl-1-[4-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
CID 112644501
[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol
CID 112641648
N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503
N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79099771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine (CID 112641722) is N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine is CCNC(c1ccn(Cc2cncs2)c1)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is HOQVZXZPGOBWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-16-14(11(2)3)12-5-6-17(8-12)9-13-7-15-10-18-13/h5-8,10-11,14,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine?
N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 112641722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).