N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide

C14H21N3OS — CID 119459660

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC2CC3CCC(C2)N3)s1
InChIInChI=1S/C14H21N3OS/c1-2-3-13-15-8-12(19-13)14(18)17-11-6-9-4-5-10(7-11)16-9/h8-11,16H,2-7H2,1H3,(H,17,18)
InChIKeyNXYAFRLZVWMFIK-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.11
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 119459660) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID119459660
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC2CC3CCC(C2)N3)s1
InChIInChI=1S/C14H21N3OS/c1-2-3-13-15-8-12(19-13)14(18)17-11-6-9-4-5-10(7-11)16-9/h8-11,16H,2-7H2,1H3,(H,17,18)
InChIKeyNXYAFRLZVWMFIK-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide (CID 119459660) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NC2CC3CCC(C2)N3)s1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is NXYAFRLZVWMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-3-13-15-8-12(19-13)14(18)17-11-6-9-4-5-10(7-11)16-9/h8-11,16H,2-7H2,1H3,(H,17,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119459660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).