4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide

C13H18ClN3O2S — CID 83103828

IUPAC4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C13H18ClN3O2S/c14-5-10-8-20-12(15-10)6-17-3-4-19-7-11(17)13(18)16-9-1-2-9/h8-9,11H,1-7H2,(H,16,18)
InChIKeySBIMJDQYHRMODW-UHFFFAOYSA-N
MW315.83 g/mol
LogP1.36
Rot. Bonds5

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

4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83103828) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83103828
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC Name4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C13H18ClN3O2S/c14-5-10-8-20-12(15-10)6-17-3-4-19-7-11(17)13(18)16-9-1-2-9/h8-9,11H,1-7H2,(H,16,18)
InChIKeySBIMJDQYHRMODW-UHFFFAOYSA-N
XLogP1.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide
CID 83104699
4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103715
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 16767849
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]morpholine-3-carboxamide
CID 83096261
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935
3-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-2-carboxylic acid
CID 83102524
5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 83101848
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
CID 115688127
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 43320110
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide (CID 83103828) is 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1Cc1nc(CCl)cs1.
What is the InChIKey of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is SBIMJDQYHRMODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S/c14-5-10-8-20-12(15-10)6-17-3-4-19-7-11(17)13(18)16-9-1-2-9/h8-9,11H,1-7H2,(H,16,18).
What are the key properties of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 315.83 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83103828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).