3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile

C10H13ClN4OS — CID 3787752

IUPAC3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NCCN1CCOCC1
InChIInChI=1S/C10H13ClN4OS/c11-9-8(7-12)10(17-14-9)13-1-2-15-3-5-16-6-4-15/h13H,1-6H2
InChIKeyRKRFNFNVSLZSGO-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.41
Rot. Bonds4

About 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile

3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 3787752) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID3787752
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NCCN1CCOCC1
InChIInChI=1S/C10H13ClN4OS/c11-9-8(7-12)10(17-14-9)13-1-2-15-3-5-16-6-4-15/h13H,1-6H2
InChIKeyRKRFNFNVSLZSGO-UHFFFAOYSA-N
XLogP1.41
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile (CID 3787752) is 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1NCCN1CCOCC1.
What is the InChIKey of 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is RKRFNFNVSLZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c11-9-8(7-12)10(17-14-9)13-1-2-15-3-5-16-6-4-15/h13H,1-6H2.
What are the key properties of 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 272.76 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 3787752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).