3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide

C18H22N4O2S2 — CID 110408416

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1sc(N)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C18H22N4O2S2/c1-22(2)12(13-5-3-9-24-13)11-20-16(23)8-7-15-17(21-18(19)26-15)14-6-4-10-25-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyQEEKIEQSCAABBH-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.40
Rot. Bonds8

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide (PubChem CID 110408416) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
PubChem CID110408416
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1sc(N)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C18H22N4O2S2/c1-22(2)12(13-5-3-9-24-13)11-20-16(23)8-7-15-17(21-18(19)26-15)14-6-4-10-25-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyQEEKIEQSCAABBH-UHFFFAOYSA-N
XLogP3.40
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
CID 110610116
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626452
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110627746
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 28714206
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792596
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110408494
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110428723
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide
CID 51162757
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide (CID 110408416) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide is CN(C)C(CNC(=O)CCc1sc(N)nc1-c1cccs1)c1ccco1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The InChIKey is QEEKIEQSCAABBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-22(2)12(13-5-3-9-24-13)11-20-16(23)8-7-15-17(21-18(19)26-15)14-6-4-10-25-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 110408416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).