N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide

C15H18ClN3OS — CID 119698367

IUPACN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H18ClN3OS/c16-11-3-4-13-12(7-11)19-15(21-13)5-6-18-14(20)9-17-8-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8-9H2,(H,18,20)
InChIKeySZNUMBLKQMTRSM-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119698367) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119698367
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H18ClN3OS/c16-11-3-4-13-12(7-11)19-15(21-13)5-6-18-14(20)9-17-8-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8-9H2,(H,18,20)
InChIKeySZNUMBLKQMTRSM-UHFFFAOYSA-N
XLogP2.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119698358
4-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 119275972
3-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119698351
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-(methylamino)butanamide
CID 119698347
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119698372
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
(2S)-2-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119698364
N-[3-(6-chloro-1,3-benzothiazol-2-yl)propyl]-2-cyclopentylacetamide
CID 142442719
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119698375
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]acetamide
CID 112797009
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 79528103
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide (CID 119698367) is N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)NCCc1nc2cc(Cl)ccc2s1.
What is the InChIKey of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is SZNUMBLKQMTRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c16-11-3-4-13-12(7-11)19-15(21-13)5-6-18-14(20)9-17-8-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8-9H2,(H,18,20).
What are the key properties of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide?
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 323.85 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119698367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).