N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

C12H17N5O4S — CID 171358793

IUPACN-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)CN2CCOCC2)cs1
InChIInChI=1S/C12H17N5O4S/c1-8(18)13-12-14-9(7-22-12)11(20)16-15-10(19)6-17-2-4-21-5-3-17/h7H,2-6H2,1H3,(H,15,19)(H,16,20)(H,13,14,18)
InChIKeyDFMWZHYCZKDTPB-UHFFFAOYSA-N
MW327.37 g/mol
LogP-0.81
Rot. Bonds4

About N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 171358793) has the molecular formula C12H17N5O4S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID171358793
Molecular FormulaC12H17N5O4S
Molecular Weight327.37 g/mol
Exact Mass327.10
IUPAC NameN-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)CN2CCOCC2)cs1
InChIInChI=1S/C12H17N5O4S/c1-8(18)13-12-14-9(7-22-12)11(20)16-15-10(19)6-17-2-4-21-5-3-17/h7H,2-6H2,1H3,(H,15,19)(H,16,20)(H,13,14,18)
InChIKeyDFMWZHYCZKDTPB-UHFFFAOYSA-N
XLogP-0.81
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (CID 171358793) is N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)NNC(=O)CN2CCOCC2)cs1.
What is the InChIKey of N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DFMWZHYCZKDTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4S/c1-8(18)13-12-14-9(7-22-12)11(20)16-15-10(19)6-17-2-4-21-5-3-17/h7H,2-6H2,1H3,(H,15,19)(H,16,20)(H,13,14,18).
What are the key properties of N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 327.37 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-morpholin-4-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171358793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).