[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine

C16H21N3S — CID 83970171

IUPAC[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H21N3S/c1-12-15(20-16(11-17)18-12)10-13-4-6-14(7-5-13)19-8-2-3-9-19/h4-7H,2-3,8-11,17H2,1H3
InChIKeyWCBKVAMVDVKKSZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.10
Rot. Bonds4

About [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine

[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 83970171) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID83970171
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H21N3S/c1-12-15(20-16(11-17)18-12)10-13-4-6-14(7-5-13)19-8-2-3-9-19/h4-7H,2-3,8-11,17H2,1H3
InChIKeyWCBKVAMVDVKKSZ-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
propyl 4-[[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzoate
CID 83970145
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110374646
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate
CID 75375858
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 84565281
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63280078
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine (CID 83970171) is [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1Cc1ccc(N2CCCC2)cc1.
What is the InChIKey of [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is WCBKVAMVDVKKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-15(20-16(11-17)18-12)10-13-4-6-14(7-5-13)19-8-2-3-9-19/h4-7H,2-3,8-11,17H2,1H3.
What are the key properties of [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 83970171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).