2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid

C17H28N4O4S — CID 59414252

IUPAC2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid
SMILESCC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)O)cs1
InChIInChI=1S/C17H28N4O4S/c1-12(2)15-18-13(11-26-15)10-20(3)17(24)19-14(16(22)23)4-5-21-6-8-25-9-7-21/h11-12,14H,4-10H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyQEYXFSIVDPCIQM-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.58
Rot. Bonds8

About 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid

2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid (PubChem CID 59414252) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid
PubChem CID59414252
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid
SMILESCC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)O)cs1
InChIInChI=1S/C17H28N4O4S/c1-12(2)15-18-13(11-26-15)10-20(3)17(24)19-14(16(22)23)4-5-21-6-8-25-9-7-21/h11-12,14H,4-10H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyQEYXFSIVDPCIQM-UHFFFAOYSA-N
XLogP1.58
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid (CID 59414252) is 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid is CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)O)cs1.
What is the InChIKey of 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid?
The InChIKey is QEYXFSIVDPCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-12(2)15-18-13(11-26-15)10-20(3)17(24)19-14(16(22)23)4-5-21-6-8-25-9-7-21/h11-12,14H,4-10H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid?
2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid has a molecular weight of 384.50 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 59414252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).