4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide

C11H17N3O3S — CID 106381330

IUPAC4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3S/c12-7-11(1-3-17-4-2-11)9(15)13-5-8-6-18-10(16)14-8/h6H,1-5,7,12H2,(H,13,15)(H,14,16)
InChIKeyWAPKKSBUZVFCMK-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.19
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide (PubChem CID 106381330) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
PubChem CID106381330
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3S/c12-7-11(1-3-17-4-2-11)9(15)13-5-8-6-18-10(16)14-8/h6H,1-5,7,12H2,(H,13,15)(H,14,16)
InChIKeyWAPKKSBUZVFCMK-UHFFFAOYSA-N
XLogP-0.19
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 103862856
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 106381275
2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381361
4-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 106381464
4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381764
4-(N'-hydroxycarbamimidoyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 106383083
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 113357250
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120888270

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide (CID 106381330) is 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide is NCC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is WAPKKSBUZVFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-7-11(1-3-17-4-2-11)9(15)13-5-8-6-18-10(16)14-8/h6H,1-5,7,12H2,(H,13,15)(H,14,16).
What are the key properties of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 271.34 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 106381330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).