[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid

C14H15N3O2S — CID 174188565

IUPAC[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(-c2cccc(N3CCCC3)c2)s1
InChIInChI=1S/C14H15N3O2S/c18-14(19)16-13-15-9-12(20-13)10-4-3-5-11(8-10)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,15,16)(H,18,19)
InChIKeyAUBGPIIKDCKQLN-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.50
Rot. Bonds3

About [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid

[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 174188565) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID174188565
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(-c2cccc(N3CCCC3)c2)s1
InChIInChI=1S/C14H15N3O2S/c18-14(19)16-13-15-9-12(20-13)10-4-3-5-11(8-10)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,15,16)(H,18,19)
InChIKeyAUBGPIIKDCKQLN-UHFFFAOYSA-N
XLogP3.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-6-formyl-4-[[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] butanoate
CID 163230166
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
[2-fluoro-6-methoxy-4-[[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 3,4-dihydroxybutanoate
CID 170688041
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
1-(5-phenyl-1,3-thiazol-2-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78874563
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 47028163
(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836
(3S)-1-ethynyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329438

Frequently Asked Questions

What is the IUPAC name of [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid (CID 174188565) is [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1ncc(-c2cccc(N3CCCC3)c2)s1.
What is the InChIKey of [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is AUBGPIIKDCKQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(19)16-13-15-9-12(20-13)10-4-3-5-11(8-10)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H,15,16)(H,18,19).
What are the key properties of [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid?
[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 289.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 174188565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).