N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C18H15N3O4S — CID 90531496

IUPACN-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2)c1ccoc1
InChIInChI=1S/C18H15N3O4S/c22-16(4-3-13-2-1-8-25-13)21-7-5-14-15(10-21)26-18(19-14)20-17(23)12-6-9-24-11-12/h1-4,6,8-9,11H,5,7,10H2,(H,19,20,23)/b4-3+
InChIKeyNFZWXHHMBPQRST-ONEGZZNKSA-N
MW369.40 g/mol
LogP3.18
Rot. Bonds4

About N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 90531496) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID90531496
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2)c1ccoc1
InChIInChI=1S/C18H15N3O4S/c22-16(4-3-13-2-1-8-25-13)21-7-5-14-15(10-21)26-18(19-14)20-17(23)12-6-9-24-11-12/h1-4,6,8-9,11H,5,7,10H2,(H,19,20,23)/b4-3+
InChIKeyNFZWXHHMBPQRST-ONEGZZNKSA-N
XLogP3.18
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531498
N-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531672
2-(furan-3-carbonylamino)-N-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788322
N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 71788292
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 97104375
N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531633
N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531511
methyl N-[5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528867
N-[5-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526504
N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526767
N-[5-(cyclopentanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526442

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 90531496) is N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2)c1ccoc1.
What is the InChIKey of N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is NFZWXHHMBPQRST-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-16(4-3-13-2-1-8-25-13)21-7-5-14-15(10-21)26-18(19-14)20-17(23)12-6-9-24-11-12/h1-4,6,8-9,11H,5,7,10H2,(H,19,20,23)/b4-3+.
What are the key properties of N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 90531496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).