2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

C14H12N4O2S — CID 66378031

IUPAC2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cccc(-c3cnco3)c2)cs1
InChIInChI=1S/C14H12N4O2S/c15-5-13-18-11(7-21-13)14(19)17-10-3-1-2-9(4-10)12-6-16-8-20-12/h1-4,6-8H,5,15H2,(H,17,19)
InChIKeyDNCDWRQORSAKSM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.51
Rot. Bonds4

About 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 66378031) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID66378031
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cccc(-c3cnco3)c2)cs1
InChIInChI=1S/C14H12N4O2S/c15-5-13-18-11(7-21-13)14(19)17-10-3-1-2-9(4-10)12-6-16-8-20-12/h1-4,6-8H,5,15H2,(H,17,19)
InChIKeyDNCDWRQORSAKSM-UHFFFAOYSA-N
XLogP2.51
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
5-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 47265686
prop-2-ynyl 4-[4-[[3-(1,3-oxazol-5-yl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3293054
2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788932
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
2-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 61041502
N-[3-(1,3-oxazol-5-yl)phenyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337290
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258
2-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119902608

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 66378031) is 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2cccc(-c3cnco3)c2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DNCDWRQORSAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-5-13-18-11(7-21-13)14(19)17-10-3-1-2-9(4-10)12-6-16-8-20-12/h1-4,6-8H,5,15H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66378031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).