N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C20H25N3O2S2 — CID 71841719

IUPACN-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCc1ccsc1C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C20H25N3O2S2/c1-13-7-10-26-17(13)20(25)23-9-2-3-15(11-23)19-22-16(12-27-19)6-8-21-18(24)14-4-5-14/h7,10,12,14-15H,2-6,8-9,11H2,1H3,(H,21,24)
InChIKeyGAQZRQMLRSKDPB-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841719) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841719
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCc1ccsc1C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C20H25N3O2S2/c1-13-7-10-26-17(13)20(25)23-9-2-3-15(11-23)19-22-16(12-27-19)6-8-21-18(24)14-4-5-14/h7,10,12,14-15H,2-6,8-9,11H2,1H3,(H,21,24)
InChIKeyGAQZRQMLRSKDPB-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841719) is N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is Cc1ccsc1C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is GAQZRQMLRSKDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-13-7-10-26-17(13)20(25)23-9-2-3-15(11-23)19-22-16(12-27-19)6-8-21-18(24)14-4-5-14/h7,10,12,14-15H,2-6,8-9,11H2,1H3,(H,21,24).
What are the key properties of N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).