5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C16H21N3S — CID 120905616

IUPAC5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C2CCN(Cc3cnc(N)s3)C2)c(C)c1
InChIInChI=1S/C16H21N3S/c1-11-3-4-15(12(2)7-11)13-5-6-19(9-13)10-14-8-18-16(17)20-14/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,17,18)
InChIKeyDEWANCKECHMQQK-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.33
Rot. Bonds3

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

5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120905616) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120905616
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C2CCN(Cc3cnc(N)s3)C2)c(C)c1
InChIInChI=1S/C16H21N3S/c1-11-3-4-15(12(2)7-11)13-5-6-19(9-13)10-14-8-18-16(17)20-14/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,17,18)
InChIKeyDEWANCKECHMQQK-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898672
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120905616) is 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1ccc(C2CCN(Cc3cnc(N)s3)C2)c(C)c1.
What is the InChIKey of 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is DEWANCKECHMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-3-4-15(12(2)7-11)13-5-6-19(9-13)10-14-8-18-16(17)20-14/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).