N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

C18H18N4O3S — CID 27377224

IUPACN-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C18H18N4O3S/c23-16(19-11-15-7-4-10-25-15)9-8-14-12-26-18(21-14)22-17(24)20-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,19,23)(H2,20,21,22,24)
InChIKeyZIPVXUMLJCSGFJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.63
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 27377224) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID27377224
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C18H18N4O3S/c23-16(19-11-15-7-4-10-25-15)9-8-14-12-26-18(21-14)22-17(24)20-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,19,23)(H2,20,21,22,24)
InChIKeyZIPVXUMLJCSGFJ-UHFFFAOYSA-N
XLogP3.63
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (CID 27377224) is N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is ZIPVXUMLJCSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-16(19-11-15-7-4-10-25-15)9-8-14-12-26-18(21-14)22-17(24)20-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 370.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27377224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).