N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine

C14H13ClN4OS — CID 107800195

IUPACN-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
SMILESCCOCc1nc(Cl)cc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C14H13ClN4OS/c1-2-20-7-14-18-12(15)6-13(19-14)17-9-3-4-10-11(5-9)21-8-16-10/h3-6,8H,2,7H2,1H3,(H,17,18,19)
InChIKeyLKPUEUFOLXGFNK-UHFFFAOYSA-N
MW320.81 g/mol
LogP4.02
Rot. Bonds5

About N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine

N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine (PubChem CID 107800195) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
PubChem CID107800195
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC NameN-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
SMILESCCOCc1nc(Cl)cc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C14H13ClN4OS/c1-2-20-7-14-18-12(15)6-13(19-14)17-9-3-4-10-11(5-9)21-8-16-10/h3-6,8H,2,7H2,1H3,(H,17,18,19)
InChIKeyLKPUEUFOLXGFNK-UHFFFAOYSA-N
XLogP4.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
N-(5-bromo-3-pyridinyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114222602
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-benzothiazol-6-amine
CID 107800243
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
6-chloro-2-(ethoxymethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 114126487
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
CID 107801962

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine (CID 107800195) is N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine is CCOCc1nc(Cl)cc(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine?
The InChIKey is LKPUEUFOLXGFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-2-20-7-14-18-12(15)6-13(19-14)17-9-3-4-10-11(5-9)21-8-16-10/h3-6,8H,2,7H2,1H3,(H,17,18,19).
What are the key properties of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine?
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine has a molecular weight of 320.81 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107800195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).