N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide

C13H20N4O3S — CID 6466262

IUPACN,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCOCC2)sc1C(=O)N(C)C
InChIInChI=1S/C13H20N4O3S/c1-9-11(12(19)16(2)3)21-13(14-9)15-10(18)8-17-4-6-20-7-5-17/h4-8H2,1-3H3,(H,14,15,18)
InChIKeyHYQGRTIRFXKLGR-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.42
Rot. Bonds4

About N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 6466262) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID6466262
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCOCC2)sc1C(=O)N(C)C
InChIInChI=1S/C13H20N4O3S/c1-9-11(12(19)16(2)3)21-13(14-9)15-10(18)8-17-4-6-20-7-5-17/h4-8H2,1-3H3,(H,14,15,18)
InChIKeyHYQGRTIRFXKLGR-UHFFFAOYSA-N
XLogP0.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide (CID 6466262) is N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CN2CCOCC2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is HYQGRTIRFXKLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9-11(12(19)16(2)3)21-13(14-9)15-10(18)8-17-4-6-20-7-5-17/h4-8H2,1-3H3,(H,14,15,18).
What are the key properties of N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6466262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).