6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine

C17H19ClN4OS2 — CID 108778799

IUPAC6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine
SMILESCN(Cc1csc(CN2CCOCC2)n1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H19ClN4OS2/c1-21(17-20-14-3-2-12(18)8-15(14)25-17)9-13-11-24-16(19-13)10-22-4-6-23-7-5-22/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyXNLNXWBPTWNMCX-UHFFFAOYSA-N
MW394.95 g/mol
LogP3.87
Rot. Bonds5

About 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine

6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 108778799) has the molecular formula C17H19ClN4OS2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine
PubChem CID108778799
Molecular FormulaC17H19ClN4OS2
Molecular Weight394.95 g/mol
Exact Mass394.07
IUPAC Name6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine
SMILESCN(Cc1csc(CN2CCOCC2)n1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H19ClN4OS2/c1-21(17-20-14-3-2-12(18)8-15(14)25-17)9-13-11-24-16(19-13)10-22-4-6-23-7-5-22/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyXNLNXWBPTWNMCX-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 108783910
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxalin-2-amine
CID 108778800
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933425
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933409
N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine (CID 108778799) is 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine is CN(Cc1csc(CN2CCOCC2)n1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is XNLNXWBPTWNMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS2/c1-21(17-20-14-3-2-12(18)8-15(14)25-17)9-13-11-24-16(19-13)10-22-4-6-23-7-5-22/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine?
6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 394.95 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108778799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).