N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide

C7H5ClN4OS2 — CID 65215041

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(CCl)cs1)c1cnns1
InChIInChI=1S/C7H5ClN4OS2/c8-1-4-3-14-7(10-4)11-6(13)5-2-9-12-15-5/h2-3H,1H2,(H,10,11,13)
InChIKeyKJYUQRNPHXGAKL-UHFFFAOYSA-N
MW260.73 g/mol
LogP1.99
Rot. Bonds3

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 65215041) has the molecular formula C7H5ClN4OS2 and a molecular weight of 260.73 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID65215041
Molecular FormulaC7H5ClN4OS2
Molecular Weight260.73 g/mol
Exact Mass259.96
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(CCl)cs1)c1cnns1
InChIInChI=1S/C7H5ClN4OS2/c8-1-4-3-14-7(10-4)11-6(13)5-2-9-12-15-5/h2-3H,1H2,(H,10,11,13)
InChIKeyKJYUQRNPHXGAKL-UHFFFAOYSA-N
XLogP1.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655852
N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 61406615
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-iodothiophene-3-carboxamide
CID 79692806
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide
CID 79094737
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 62056845
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 43140302
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(thiadiazol-5-yl)benzamide
CID 114913573
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 65215041) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is O=C(Nc1nc(CCl)cs1)c1cnns1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is KJYUQRNPHXGAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS2/c8-1-4-3-14-7(10-4)11-6(13)5-2-9-12-15-5/h2-3H,1H2,(H,10,11,13).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 260.73 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65215041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).