1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide

C14H15N3OS — CID 81179825

IUPAC1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCC1
InChIInChI=1S/C14H15N3OS/c15-14(6-1-7-14)13(18)17-11-4-2-10(3-5-11)12-16-8-9-19-12/h2-5,8-9H,1,6-7,15H2,(H,17,18)
InChIKeyUBTJIMAQDIFZJL-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.63
Rot. Bonds3

About 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide

1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 81179825) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID81179825
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCC1
InChIInChI=1S/C14H15N3OS/c15-14(6-1-7-14)13(18)17-11-4-2-10(3-5-11)12-16-8-9-19-12/h2-5,8-9H,1,6-7,15H2,(H,17,18)
InChIKeyUBTJIMAQDIFZJL-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111473384
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 63044488
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide (CID 81179825) is 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCC1.
What is the InChIKey of 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is UBTJIMAQDIFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-14(6-1-7-14)13(18)17-11-4-2-10(3-5-11)12-16-8-9-19-12/h2-5,8-9H,1,6-7,15H2,(H,17,18).
What are the key properties of 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide?
1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81179825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).