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

C18H21N3OS — CID 2467530

IUPACN-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1CNc1nc(-c2cc(C)n(C)c2C)cs1
InChIInChI=1S/C18H21N3OS/c1-12-9-15(13(2)21(12)3)16-11-23-18(20-16)19-10-14-7-5-6-8-17(14)22-4/h5-9,11H,10H2,1-4H3,(H,19,20)
InChIKeyVYHKIGWVACXIMJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.39
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2467530) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID2467530
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1CNc1nc(-c2cc(C)n(C)c2C)cs1
InChIInChI=1S/C18H21N3OS/c1-12-9-15(13(2)21(12)3)16-11-23-18(20-16)19-10-14-7-5-6-8-17(14)22-4/h5-9,11H,10H2,1-4H3,(H,19,20)
InChIKeyVYHKIGWVACXIMJ-UHFFFAOYSA-N
XLogP4.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 9292151
N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 9232183
methyl 3-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962499
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2117243
N-[2-[4-[2-[(2-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343109
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 24505635
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142914
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2559872

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine (CID 2467530) is N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine is COc1ccccc1CNc1nc(-c2cc(C)n(C)c2C)cs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is VYHKIGWVACXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-9-15(13(2)21(12)3)16-11-23-18(20-16)19-10-14-7-5-6-8-17(14)22-4/h5-9,11H,10H2,1-4H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 327.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2467530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).