4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile

C12H16N4OS — CID 79681534

IUPAC4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc(CNC3CC3)cs2)CCO1
InChIInChI=1S/C12H16N4OS/c13-5-11-7-16(3-4-17-11)12-15-10(8-18-12)6-14-9-1-2-9/h8-9,11,14H,1-4,6-7H2
InChIKeyCAEMXGAACNCZGQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.12
Rot. Bonds4

About 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile

4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile (PubChem CID 79681534) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile
PubChem CID79681534
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc(CNC3CC3)cs2)CCO1
InChIInChI=1S/C12H16N4OS/c13-5-11-7-16(3-4-17-11)12-15-10(8-18-12)6-14-9-1-2-9/h8-9,11,14H,1-4,6-7H2
InChIKeyCAEMXGAACNCZGQ-UHFFFAOYSA-N
XLogP1.12
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79681623
4-[4-(propylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79680633
methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
CID 80576545
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82514904
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79088243
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
CID 112734300
2-(2-cyanomorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424826
4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
CID 102770047
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 80572410
4-phenylmorpholine-2-carbonitrile
CID 67651414
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile (CID 79681534) is 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile is N#CC1CN(c2nc(CNC3CC3)cs2)CCO1.
What is the InChIKey of 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
The InChIKey is CAEMXGAACNCZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c13-5-11-7-16(3-4-17-11)12-15-10(8-18-12)6-14-9-1-2-9/h8-9,11,14H,1-4,6-7H2.
What are the key properties of 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile has a molecular weight of 264.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 79681534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).