N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

C20H30ClN3O3S — CID 6603639

IUPACN-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1.Cl
InChIInChI=1S/C20H29N3O3S.ClH/c1-6-22(7-2)11-8-12-23(15(3)24)20-21-18(14-27-20)17-13-16(25-4)9-10-19(17)26-5;/h9-10,13-14H,6-8,11-12H2,1-5H3;1H
InChIKeyFOOBDHJHSVCNEA-UHFFFAOYSA-N
MW428.00 g/mol
LogP4.33
Rot. Bonds10

About N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 6603639) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID6603639
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC NameN-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1.Cl
InChIInChI=1S/C20H29N3O3S.ClH/c1-6-22(7-2)11-8-12-23(15(3)24)20-21-18(14-27-20)17-13-16(25-4)9-10-19(17)26-5;/h9-10,13-14H,6-8,11-12H2,1-5H3;1H
InChIKeyFOOBDHJHSVCNEA-UHFFFAOYSA-N
XLogP4.33
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 6603639) is N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is CCN(CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is FOOBDHJHSVCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S.ClH/c1-6-22(7-2)11-8-12-23(15(3)24)20-21-18(14-27-20)17-13-16(25-4)9-10-19(17)26-5;/h9-10,13-14H,6-8,11-12H2,1-5H3;1H.
What are the key properties of N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 428.00 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 6603639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).