N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C8H11N3OS — CID 141197607

IUPACN-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CCN1)c1cncs1
InChIInChI=1S/C8H11N3OS/c12-8(7-4-9-5-13-7)11-3-6-1-2-10-6/h4-6,10H,1-3H2,(H,11,12)
InChIKeyBAKWXYPLGRNTQX-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.23
Rot. Bonds3

About N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141197607) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID141197607
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CCN1)c1cncs1
InChIInChI=1S/C8H11N3OS/c12-8(7-4-9-5-13-7)11-3-6-1-2-10-6/h4-6,10H,1-3H2,(H,11,12)
InChIKeyBAKWXYPLGRNTQX-UHFFFAOYSA-N
XLogP0.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide
CID 110125860
N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103931770
2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119514702
N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 154355633
N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 166290868
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 141197607) is N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is O=C(NCC1CCN1)c1cncs1.
What is the InChIKey of N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BAKWXYPLGRNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-8(7-4-9-5-13-7)11-3-6-1-2-10-6/h4-6,10H,1-3H2,(H,11,12).
What are the key properties of N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).