N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C17H27N3O2S — CID 86778398

IUPACN-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOC1CCCCCC1NCc1csc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C17H27N3O2S/c1-12(21)20(14-8-9-14)17-19-13(11-23-17)10-18-15-6-4-3-5-7-16(15)22-2/h11,14-16,18H,3-10H2,1-2H3
InChIKeyVHHBXTIROFSOPE-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.10
Rot. Bonds6

About N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86778398) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86778398
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOC1CCCCCC1NCc1csc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C17H27N3O2S/c1-12(21)20(14-8-9-14)17-19-13(11-23-17)10-18-15-6-4-3-5-7-16(15)22-2/h11,14-16,18H,3-10H2,1-2H3
InChIKeyVHHBXTIROFSOPE-UHFFFAOYSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 86778398) is N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is COC1CCCCCC1NCc1csc(N(C(C)=O)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VHHBXTIROFSOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12(21)20(14-8-9-14)17-19-13(11-23-17)10-18-15-6-4-3-5-7-16(15)22-2/h11,14-16,18H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[(2-methoxycycloheptyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86778398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).