3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

C16H21N3O2S2 — CID 110626452

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)NCC2(O)CCCC2)s1
InChIInChI=1S/C16H21N3O2S2/c17-15-19-14(11-4-3-9-22-11)12(23-15)5-6-13(20)18-10-16(21)7-1-2-8-16/h3-4,9,21H,1-2,5-8,10H2,(H2,17,19)(H,18,20)
InChIKeyIROOSXRFRIIWCS-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.81
Rot. Bonds6

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 110626452) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID110626452
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)NCC2(O)CCCC2)s1
InChIInChI=1S/C16H21N3O2S2/c17-15-19-14(11-4-3-9-22-11)12(23-15)5-6-13(20)18-10-16(21)7-1-2-8-16/h3-4,9,21H,1-2,5-8,10H2,(H2,17,19)(H,18,20)
InChIKeyIROOSXRFRIIWCS-UHFFFAOYSA-N
XLogP2.81
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[2-(3-methylphenyl)ethyl]propanamide
CID 110627746
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110374480
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110428723
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110408416
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110412313
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide
CID 110426528
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 28714206
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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-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 110626452) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is Nc1nc(-c2cccs2)c(CCC(=O)NCC2(O)CCCC2)s1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is IROOSXRFRIIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c17-15-19-14(11-4-3-9-22-11)12(23-15)5-6-13(20)18-10-16(21)7-1-2-8-16/h3-4,9,21H,1-2,5-8,10H2,(H2,17,19)(H,18,20).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 351.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 110626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).