3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline

C14H17N3S — CID 61169274

IUPAC3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1cc(NCc2cscn2)cc(N2CCCC2)c1
InChIInChI=1S/C14H17N3S/c1-2-7-17(6-1)14-5-3-4-12(8-14)15-9-13-10-18-11-16-13/h3-5,8,10-11,15H,1-2,6-7,9H2
InChIKeyBRJKWERLFAYAOG-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.36
Rot. Bonds4

About 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline

3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 61169274) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID61169274
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1cc(NCc2cscn2)cc(N2CCCC2)c1
InChIInChI=1S/C14H17N3S/c1-2-7-17(6-1)14-5-3-4-12(8-14)15-9-13-10-18-11-16-13/h3-5,8,10-11,15H,1-2,6-7,9H2
InChIKeyBRJKWERLFAYAOG-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 62747482
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
CID 61171584
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 61169274) is 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline is c1cc(NCc2cscn2)cc(N2CCCC2)c1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is BRJKWERLFAYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-7-17(6-1)14-5-3-4-12(8-14)15-9-13-10-18-11-16-13/h3-5,8,10-11,15H,1-2,6-7,9H2.
What are the key properties of 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 259.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 61169274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).