2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C14H15N5OS — CID 5329330

IUPAC2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(CN3CCOCC3)ccn2)s1
InChIInChI=1S/C14H15N5OS/c15-8-12-9-17-14(21-12)18-13-7-11(1-2-16-13)10-19-3-5-20-6-4-19/h1-2,7,9H,3-6,10H2,(H,16,17,18)
InChIKeyWGUVPQBJXJTWIH-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.99
Rot. Bonds4

About 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 5329330) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID5329330
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(CN3CCOCC3)ccn2)s1
InChIInChI=1S/C14H15N5OS/c15-8-12-9-17-14(21-12)18-13-7-11(1-2-16-13)10-19-3-5-20-6-4-19/h1-2,7,9H,3-6,10H2,(H,16,17,18)
InChIKeyWGUVPQBJXJTWIH-UHFFFAOYSA-N
XLogP1.99
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 5329330) is 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2cc(CN3CCOCC3)ccn2)s1.
What is the InChIKey of 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is WGUVPQBJXJTWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c15-8-12-9-17-14(21-12)18-13-7-11(1-2-16-13)10-19-3-5-20-6-4-19/h1-2,7,9H,3-6,10H2,(H,16,17,18).
What are the key properties of 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 301.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 5329330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).