N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide

C20H29N3OS — CID 42598016

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C20H29N3OS/c24-18(3-6-23-4-1-2-5-23)22-19-21-17(13-25-19)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,1-12H2,(H,21,22,24)
InChIKeyRCYMTOPDUUMFRT-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 42598016) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID42598016
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C20H29N3OS/c24-18(3-6-23-4-1-2-5-23)22-19-21-17(13-25-19)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,1-12H2,(H,21,22,24)
InChIKeyRCYMTOPDUUMFRT-UHFFFAOYSA-N
XLogP4.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide (CID 42598016) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is RCYMTOPDUUMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c24-18(3-6-23-4-1-2-5-23)22-19-21-17(13-25-19)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,1-12H2,(H,21,22,24).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 359.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 42598016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).