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

C18H22N4O2S — CID 72873217

IUPACN-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(C(c1cccnc1)N1CCOCC1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C18H22N4O2S/c23-18(22(15-3-4-15)13-16-20-6-11-25-16)17(14-2-1-5-19-12-14)21-7-9-24-10-8-21/h1-2,5-6,11-12,15,17H,3-4,7-10,13H2
InChIKeyVBCSFLJPDMOEHA-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.10
Rot. Bonds6

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

N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 72873217) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID72873217
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(C(c1cccnc1)N1CCOCC1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C18H22N4O2S/c23-18(22(15-3-4-15)13-16-20-6-11-25-16)17(14-2-1-5-19-12-14)21-7-9-24-10-8-21/h1-2,5-6,11-12,15,17H,3-4,7-10,13H2
InChIKeyVBCSFLJPDMOEHA-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 72873217) is N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(C(c1cccnc1)N1CCOCC1)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is VBCSFLJPDMOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-18(22(15-3-4-15)13-16-20-6-11-25-16)17(14-2-1-5-19-12-14)21-7-9-24-10-8-21/h1-2,5-6,11-12,15,17H,3-4,7-10,13H2.
What are the key properties of N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 72873217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).