6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol

C18H22ClN5OS — CID 142338312

IUPAC6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol
SMILESNc1nc2ccc(CNc3cncc(Cl)n3)cc2s1.OC1CCCCC1
InChIInChI=1S/C12H10ClN5S.C6H12O/c13-10-5-15-6-11(18-10)16-4-7-1-2-8-9(3-7)19-12(14)17-8;7-6-4-2-1-3-5-6/h1-3,5-6H,4H2,(H2,14,17)(H,16,18);6-7H,1-5H2
InChIKeyKGOVOYWXZQPKQF-UHFFFAOYSA-N
MW391.93 g/mol
LogP4.25
Rot. Bonds3

About 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol

6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol (PubChem CID 142338312) has the molecular formula C18H22ClN5OS and a molecular weight of 391.93 g/mol. Its IUPAC name is 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol.

Molecular Properties

Compound Name6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol
PubChem CID142338312
Molecular FormulaC18H22ClN5OS
Molecular Weight391.93 g/mol
Exact Mass391.12
IUPAC Name6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol
SMILESNc1nc2ccc(CNc3cncc(Cl)n3)cc2s1.OC1CCCCC1
InChIInChI=1S/C12H10ClN5S.C6H12O/c13-10-5-15-6-11(18-10)16-4-7-1-2-8-9(3-7)19-12(14)17-8;7-6-4-2-1-3-5-6/h1-3,5-6H,4H2,(H2,14,17)(H,16,18);6-7H,1-5H2
InChIKeyKGOVOYWXZQPKQF-UHFFFAOYSA-N
XLogP4.25
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.93
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol?
The IUPAC name of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol (CID 142338312) is 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol.
What is the SMILES notation for 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol?
The canonical SMILES for 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol is Nc1nc2ccc(CNc3cncc(Cl)n3)cc2s1.OC1CCCCC1.
What is the InChIKey of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol?
The InChIKey is KGOVOYWXZQPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S.C6H12O/c13-10-5-15-6-11(18-10)16-4-7-1-2-8-9(3-7)19-12(14)17-8;7-6-4-2-1-3-5-6/h1-3,5-6H,4H2,(H2,14,17)(H,16,18);6-7H,1-5H2.
What are the key properties of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol?
6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol has a molecular weight of 391.93 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol is sourced from PubChem (CID 142338312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).