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

C12H14N4O2S2 — CID 155561108

IUPACN-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C12H14N4O2S2/c1-4-9(18)16-11-15-8(5-19-11)10-6(2)13-12(20-10)14-7(3)17/h5H,4H2,1-3H3,(H,13,14,17)(H,15,16,18)
InChIKeyNTZREEWWCNFIMJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds4

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

N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 155561108) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID155561108
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC NameN-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C12H14N4O2S2/c1-4-9(18)16-11-15-8(5-19-11)10-6(2)13-12(20-10)14-7(3)17/h5H,4H2,1-3H3,(H,13,14,17)(H,15,16,18)
InChIKeyNTZREEWWCNFIMJ-UHFFFAOYSA-N
XLogP2.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 155561108) is N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.
What is the InChIKey of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is NTZREEWWCNFIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-4-9(18)16-11-15-8(5-19-11)10-6(2)13-12(20-10)14-7(3)17/h5H,4H2,1-3H3,(H,13,14,17)(H,15,16,18).
What are the key properties of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide?
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 155561108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).