2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide

C11H10Cl2N4O2S2 — CID 71654479

IUPAC2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1ncc(Cc2cnc(NC(=O)CCl)s2)s1
InChIInChI=1S/C11H10Cl2N4O2S2/c12-2-8(18)16-10-14-4-6(20-10)1-7-5-15-11(21-7)17-9(19)3-13/h4-5H,1-3H2,(H,14,16,18)(H,15,17,19)
InChIKeySDBPQYWKXNWMHG-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.55
Rot. Bonds6

About 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide

2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71654479) has the molecular formula C11H10Cl2N4O2S2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID71654479
Molecular FormulaC11H10Cl2N4O2S2
Molecular Weight365.27 g/mol
Exact Mass363.96
IUPAC Name2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1ncc(Cc2cnc(NC(=O)CCl)s2)s1
InChIInChI=1S/C11H10Cl2N4O2S2/c12-2-8(18)16-10-14-4-6(20-10)1-7-5-15-11(21-7)17-9(19)3-13/h4-5H,1-3H2,(H,14,16,18)(H,15,17,19)
InChIKeySDBPQYWKXNWMHG-UHFFFAOYSA-N
XLogP2.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 71654479) is 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide is O=C(CCl)Nc1ncc(Cc2cnc(NC(=O)CCl)s2)s1.
What is the InChIKey of 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SDBPQYWKXNWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2S2/c12-2-8(18)16-10-14-4-6(20-10)1-7-5-15-11(21-7)17-9(19)3-13/h4-5H,1-3H2,(H,14,16,18)(H,15,17,19).
What are the key properties of 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 365.27 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71654479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).