5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

C14H17N3S — CID 129247013

IUPAC5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(NC[C@@H]3CCNC3)s2)cc1
InChIInChI=1S/C14H17N3S/c1-2-4-12(5-3-1)13-10-17-14(18-13)16-9-11-6-7-15-8-11/h1-5,10-11,15H,6-9H2,(H,16,17)/t11-/m1/s1
InChIKeyXDGYCKYGSIULHJ-LLVKDONJSA-N
MW259.38 g/mol
LogP2.83
Rot. Bonds4

About 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 129247013) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID129247013
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(NC[C@@H]3CCNC3)s2)cc1
InChIInChI=1S/C14H17N3S/c1-2-4-12(5-3-1)13-10-17-14(18-13)16-9-11-6-7-15-8-11/h1-5,10-11,15H,6-9H2,(H,16,17)/t11-/m1/s1
InChIKeyXDGYCKYGSIULHJ-LLVKDONJSA-N
XLogP2.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5-phenyl-1,3-thiazol-2-amine
CID 133399675
5-phenyl-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 171687495
5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
CID 171699913
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
(2S)-2-[[(5-phenyl-1,3-thiazol-2-yl)amino]methyl]pyrrolidine-1-carbonitrile
CID 172782755
2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 116971112

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (CID 129247013) is 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is c1ccc(-c2cnc(NC[C@@H]3CCNC3)s2)cc1.
What is the InChIKey of 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is XDGYCKYGSIULHJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-4-12(5-3-1)13-10-17-14(18-13)16-9-11-6-7-15-8-11/h1-5,10-11,15H,6-9H2,(H,16,17)/t11-/m1/s1.
What are the key properties of 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129247013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).