2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide

C17H15ClN4O3S — CID 18567588

IUPAC2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccco1
InChIInChI=1S/C17H15ClN4O3S/c18-11-3-5-12(6-4-11)20-16(24)22-17-21-13(10-26-17)8-15(23)19-9-14-2-1-7-25-14/h1-7,10H,8-9H2,(H,19,23)(H2,20,21,22,24)
InChIKeyOTIODNBUVUNWQE-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 18567588) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID18567588
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccco1
InChIInChI=1S/C17H15ClN4O3S/c18-11-3-5-12(6-4-11)20-16(24)22-17-21-13(10-26-17)8-15(23)19-9-14-2-1-7-25-14/h1-7,10H,8-9H2,(H,19,23)(H2,20,21,22,24)
InChIKeyOTIODNBUVUNWQE-UHFFFAOYSA-N
XLogP3.89
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 18567588) is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccco1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OTIODNBUVUNWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c18-11-3-5-12(6-4-11)20-16(24)22-17-21-13(10-26-17)8-15(23)19-9-14-2-1-7-25-14/h1-7,10H,8-9H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 390.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18567588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).