N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide

C20H19N3OS — CID 51207321

IUPACN-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C20H19N3OS/c24-19(23(18-8-9-18)13-15-5-4-10-21-12-15)11-17-14-25-20(22-17)16-6-2-1-3-7-16/h1-7,10,12,14,18H,8-9,11,13H2
InChIKeyISJHDGHDBYVLTB-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.94
Rot. Bonds6

About N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide

N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 51207321) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID51207321
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C20H19N3OS/c24-19(23(18-8-9-18)13-15-5-4-10-21-12-15)11-17-14-25-20(22-17)16-6-2-1-3-7-16/h1-7,10,12,14,18H,8-9,11,13H2
InChIKeyISJHDGHDBYVLTB-UHFFFAOYSA-N
XLogP3.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120649145
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
N-benzyl-N-cyclopropyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 60501987
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 86907201
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 51207321) is N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ISJHDGHDBYVLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-19(23(18-8-9-18)13-15-5-4-10-21-12-15)11-17-14-25-20(22-17)16-6-2-1-3-7-16/h1-7,10,12,14,18H,8-9,11,13H2.
What are the key properties of N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 51207321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).