2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide

C16H28N4O2S — CID 71967438

IUPAC2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide
SMILESCc1nc(CC(C)C)c(NC(=O)NCCCNC(=O)C(C)C)s1
InChIInChI=1S/C16H28N4O2S/c1-10(2)9-13-15(23-12(5)19-13)20-16(22)18-8-6-7-17-14(21)11(3)4/h10-11H,6-9H2,1-5H3,(H,17,21)(H2,18,20,22)
InChIKeyLZDVCQXXUYFHPZ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.93
Rot. Bonds8

About 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide

2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide (PubChem CID 71967438) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide
PubChem CID71967438
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide
SMILESCc1nc(CC(C)C)c(NC(=O)NCCCNC(=O)C(C)C)s1
InChIInChI=1S/C16H28N4O2S/c1-10(2)9-13-15(23-12(5)19-13)20-16(22)18-8-6-7-17-14(21)11(3)4/h10-11H,6-9H2,1-5H3,(H,17,21)(H2,18,20,22)
InChIKeyLZDVCQXXUYFHPZ-UHFFFAOYSA-N
XLogP2.93
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide (CID 71967438) is 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide is Cc1nc(CC(C)C)c(NC(=O)NCCCNC(=O)C(C)C)s1.
What is the InChIKey of 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide?
The InChIKey is LZDVCQXXUYFHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-10(2)9-13-15(23-12(5)19-13)20-16(22)18-8-6-7-17-14(21)11(3)4/h10-11H,6-9H2,1-5H3,(H,17,21)(H2,18,20,22).
What are the key properties of 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide?
2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]propyl]propanamide is sourced from PubChem (CID 71967438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).