N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide

C7H9ClN2OS — CID 10398016

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(CCl)cs1
InChIInChI=1S/C7H9ClN2OS/c1-2-6(11)10-7-9-5(3-8)4-12-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeySAEBAJRFRUNPOD-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.23
Rot. Bonds3

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 10398016) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID10398016
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(CCl)cs1
InChIInChI=1S/C7H9ClN2OS/c1-2-6(11)10-7-9-5(3-8)4-12-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeySAEBAJRFRUNPOD-UHFFFAOYSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]butanamide
CID 108745941
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108745935
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
CID 103557096
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108745929
N-[2-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108768191
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide
CID 79094737
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide (CID 10398016) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SAEBAJRFRUNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-2-6(11)10-7-9-5(3-8)4-12-7/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 204.68 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 10398016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).