acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide

C17H24N4O5S — CID 154905019

IUPACacetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCC(=O)O.COc1cc(C(=O)NCCc2csc(N)n2)ccc1OCCN
InChIInChI=1S/C15H20N4O3S.C2H4O2/c1-21-13-8-10(2-3-12(13)22-7-5-16)14(20)18-6-4-11-9-23-15(17)19-11;1-2(3)4/h2-3,8-9H,4-7,16H2,1H3,(H2,17,19)(H,18,20);1H3,(H,3,4)
InChIKeyNROCJRRFRMTBNL-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.13
Rot. Bonds8

About acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide

acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide (PubChem CID 154905019) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Nameacetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
PubChem CID154905019
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Nameacetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCC(=O)O.COc1cc(C(=O)NCCc2csc(N)n2)ccc1OCCN
InChIInChI=1S/C15H20N4O3S.C2H4O2/c1-21-13-8-10(2-3-12(13)22-7-5-16)14(20)18-6-4-11-9-23-15(17)19-11;1-2(3)4/h2-3,8-9H,4-7,16H2,1H3,(H2,17,19)(H,18,20);1H3,(H,3,4)
InChIKeyNROCJRRFRMTBNL-UHFFFAOYSA-N
XLogP1.13
TPSA149.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 118794228
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
CID 91769969
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide (CID 154905019) is acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide is CC(=O)O.COc1cc(C(=O)NCCc2csc(N)n2)ccc1OCCN.
What is the InChIKey of acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide?
The InChIKey is NROCJRRFRMTBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S.C2H4O2/c1-21-13-8-10(2-3-12(13)22-7-5-16)14(20)18-6-4-11-9-23-15(17)19-11;1-2(3)4/h2-3,8-9H,4-7,16H2,1H3,(H2,17,19)(H,18,20);1H3,(H,3,4).
What are the key properties of acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide?
acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide has a molecular weight of 396.47 g/mol, XLogP of 1.13, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 154905019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).