N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine

C15H23N3OS — CID 9232183

IUPACN-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCCOCCCNc1nc(-c2cc(C)n(C)c2C)cs1
InChIInChI=1S/C15H23N3OS/c1-5-19-8-6-7-16-15-17-14(10-20-15)13-9-11(2)18(4)12(13)3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyBAOMYTUJNOKZIU-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.60
Rot. Bonds7

About N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine

N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 9232183) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID9232183
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCCOCCCNc1nc(-c2cc(C)n(C)c2C)cs1
InChIInChI=1S/C15H23N3OS/c1-5-19-8-6-7-16-15-17-14(10-20-15)13-9-11(2)18(4)12(13)3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyBAOMYTUJNOKZIU-UHFFFAOYSA-N
XLogP3.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.60
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

4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N-(3-ethoxypropyl)-1,3-thiazol-2-amine
CID 9232243
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
4-(3-chloro-4-pyridinyl)-N-(3-ethoxypropyl)-1,3-thiazol-2-amine
CID 100639506
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 2467530
N-butyl-4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine
CID 8962655
1-[5-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 9232137
methyl 5-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9232207
2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2559872
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 9420703

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine (CID 9232183) is N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine is CCOCCCNc1nc(-c2cc(C)n(C)c2C)cs1.
What is the InChIKey of N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BAOMYTUJNOKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-19-8-6-7-16-15-17-14(10-20-15)13-9-11(2)18(4)12(13)3/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 9232183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).