2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile

C11H15N3OS — CID 82433394

IUPAC2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile
SMILESCCCc1nc(N2CCOCC2)sc1C#N
InChIInChI=1S/C11H15N3OS/c1-2-3-9-10(8-12)16-11(13-9)14-4-6-15-7-5-14/h2-7H2,1H3
InChIKeyWUPULVWNDLNGTQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.80
Rot. Bonds3

About 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile

2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile (PubChem CID 82433394) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile
PubChem CID82433394
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile
SMILESCCCc1nc(N2CCOCC2)sc1C#N
InChIInChI=1S/C11H15N3OS/c1-2-3-9-10(8-12)16-11(13-9)14-4-6-15-7-5-14/h2-7H2,1H3
InChIKeyWUPULVWNDLNGTQ-UHFFFAOYSA-N
XLogP1.80
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
CID 21319839
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82433411
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
1-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 62764992
2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441943
(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
CID 163448006
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile (CID 82433394) is 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile is CCCc1nc(N2CCOCC2)sc1C#N.
What is the InChIKey of 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile?
The InChIKey is WUPULVWNDLNGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-3-9-10(8-12)16-11(13-9)14-4-6-15-7-5-14/h2-7H2,1H3.
What are the key properties of 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile?
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile has a molecular weight of 237.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82433394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).