N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

C14H17N3S — CID 59088623

IUPACN-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C14H17N3S/c1-15-14-16-13(10-18-14)11-4-6-12(7-5-11)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyQCRCWNLMXAJSJD-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 59088623) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID59088623
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C14H17N3S/c1-15-14-16-13(10-18-14)11-4-6-12(7-5-11)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyQCRCWNLMXAJSJD-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine
CID 144915973
N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59429751
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
2-(bromomethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 175660209
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 10150381
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910672

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (CID 59088623) is N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is CNc1nc(-c2ccc(N3CCCC3)cc2)cs1.
What is the InChIKey of N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QCRCWNLMXAJSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-15-14-16-13(10-18-14)11-4-6-12(7-5-11)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59088623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).