1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid

C12H18N2O2S — CID 81168163

IUPAC1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCCCc1nc(CNC2(C(=O)O)CCC2)cs1
InChIInChI=1S/C12H18N2O2S/c1-2-4-10-14-9(8-17-10)7-13-12(11(15)16)5-3-6-12/h8,13H,2-7H2,1H3,(H,15,16)
InChIKeyNHBDERBCNDYSPF-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.19
Rot. Bonds6

About 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid

1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81168163) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID81168163
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCCCc1nc(CNC2(C(=O)O)CCC2)cs1
InChIInChI=1S/C12H18N2O2S/c1-2-4-10-14-9(8-17-10)7-13-12(11(15)16)5-3-6-12/h8,13H,2-7H2,1H3,(H,15,16)
InChIKeyNHBDERBCNDYSPF-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912
N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 86818587
1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 81167359
1-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81166855
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
CID 81165137
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168169

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid (CID 81168163) is 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid is CCCc1nc(CNC2(C(=O)O)CCC2)cs1.
What is the InChIKey of 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is NHBDERBCNDYSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-4-10-14-9(8-17-10)7-13-12(11(15)16)5-3-6-12/h8,13H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).